data_1dav_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 1dav _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -167.49 166.97 14.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.575 ' CE1' HD22 ' A' ' 41' ' ' LEU . 54.4 t80 -148.5 101.86 3.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 55.97 45.88 85.64 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.428 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 2.1 t0 -59.09 151.49 22.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.401 0.706 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.457 HG23 ' CB ' ' A' ' 19' ' ' ASP . 14.1 t -96.86 -56.99 4.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -110.09 23.7 13.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.06 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 51.12 46.7 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.84 -46.3 4.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -163.46 -51.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' CG ' ' OD1' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -172.8 -179.76 2.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.469 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 2.7 p -99.77 106.26 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.436 ' OD1' ' CG ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -151.54 -169.52 3.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t -49.82 -22.44 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.3 m -67.74 -47.66 68.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.457 ' CB ' HG23 ' A' ' 9' ' ' VAL . 98.1 m-20 -92.36 26.13 2.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.437 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -64.39 -37.88 89.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -40.2 -53.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.242 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 26' ' ' TYR . . . -73.6 -31.89 63.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.46 HD11 ' CG2' ' A' ' 47' ' ' VAL . 2.8 tt -53.78 -60.18 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.444 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 64.1 tttt -51.71 -43.25 62.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -26.52 66.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.577 ' CE1' ' HD2' ' A' ' 46' ' ' ARG . 37.1 t80 -82.8 -62.39 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.441 ' CG2' HD22 ' A' ' 23' ' ' LEU . 61.7 t -44.93 -35.07 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CD1' ' O ' ' A' ' 24' ' ' LYS . 3.6 mp -69.17 -52.81 24.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -157.47 165.67 35.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.353 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -97.91 64.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.046 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.86 -49.27 1.1 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 pt -59.93 166.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 0.73 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.43 119.87 37.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.6 pt -139.33 163.63 25.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.43 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 2.1 m-80 -69.99 61.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.461 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -55.78 -17.47 6.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.371 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' THR . 2.8 m-20 -39.37 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.515 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 1.9 p-10 -112.39 38.94 2.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.461 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -78.08 -55.47 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.427 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 5.4 t70 -86.81 145.33 26.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.575 HD22 ' CE1' ' A' ' 6' ' ' TYR . 4.9 mp -145.96 22.28 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.406 ' CG ' ' OD1' ' A' ' 51' ' ' ASP . 1.2 m120 -154.79 24.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 52.32 36.9 20.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.42 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 27.7 m-20 -114.32 -33.01 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 121.11 -52.27 0.75 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.158 . . . . 0.0 111.047 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.577 ' HD2' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -149.94 -93.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 110.271 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.476 HG21 ' CD1' ' A' ' 52' ' ' LEU . 16.6 m -141.65 79.57 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 49' ' ' SER . 9.9 p30 -61.11 -38.75 87.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER 165.42 -30.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.05 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.4 m -78.47 -40.4 35.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -79.95 -43.11 22.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.476 ' CD1' HG21 ' A' ' 47' ' ' VAL . 1.5 tt -39.16 -61.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -38.22 -74.22 0.12 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -43.57 -49.58 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 0.722 . . . . 0.0 109.246 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.6 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -53.65 -61.5 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.506 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 11.4 ptmt -61.9 -8.24 4.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -91.47 -45.54 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.678 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -90.17 -39.03 13.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.624 HG23 ' CE2' ' A' ' 58' ' ' TYR . 1.3 pp -59.49 -16.42 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 tp -54.54 -34.6 62.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -177.14 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.8 mt-10 -51.87 -18.37 1.29 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.583 1.177 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.503 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -32.83 100.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.4 t0 167.32 -31.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.404 HG21 ' N ' ' A' ' 66' ' ' LEU . 4.6 t -134.15 -43.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.41 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.583 HD11 ' CE2' ' A' ' 58' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -162.84 136.63 6.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.371 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 38' ' ' ASN . 16.4 t80 -149.63 107.5 3.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 84.36 59.46 2.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.552 1.157 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 13' ' ' GLY . 0.8 OUTLIER -98.19 152.57 19.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.44 0.73 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 22' ' ' ALA . 0.3 OUTLIER -96.11 -47.04 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.464 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 0.8 OUTLIER -111.89 16.6 20.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.5 t70 49.11 60.45 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.182 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.478 ' CG ' ' N ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -120.1 -49.46 2.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.506 ' N ' ' OD2' ' A' ' 8' ' ' ASP . . . -150.55 -55.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' CE ' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER 179.55 159.01 0.69 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.421 0.718 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 7' ' ' GLY . 14.1 p -75.79 111.91 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -145.06 -170.8 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.385 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 t -49.91 -22.28 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.4 m -77.13 -37.03 54.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.453 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' OD2' ' HB ' ' A' ' 9' ' ' VAL . 6.1 m-20 -83.99 7.55 18.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.377 1.048 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.07 -20.78 62.99 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.0 t -68.28 -58.89 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 109.36 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 9' ' ' VAL . . . -63.44 -33.67 76.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.5 ' CD1' HG21 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -68.38 -56.97 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.249 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.16 -26.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' ARG . 1.6 mpt_? -88.31 -38.44 15.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.536 ' CD2' ' HD2' ' A' ' 46' ' ' ARG . 33.1 t80 -70.62 -22.38 62.54 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.406 ' CG2' ' HG ' ' A' ' 23' ' ' LEU . 24.6 t -90.38 -42.44 14.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.64 -48.86 15.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.602 1.189 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ARG . 3.4 tmt_? -83.48 160.07 21.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.53 -74.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.04 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.83 86.45 0.12 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 26' ' ' TYR . 1.7 tt -59.51 153.35 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -60.78 116.11 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.494 ' CD1' ' NH1' ' A' ' 46' ' ' ARG . 6.0 pt -153.25 -179.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.408 1.068 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.44 56.14 0.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.458 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 5.7 t -59.66 -14.42 13.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' THR . 3.5 m-20 -39.24 -63.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -120.78 45.96 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.462 ' HA ' ' CA ' ' A' ' 7' ' ' GLY . . . -107.34 -56.55 2.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -72.55 121.09 19.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.571 HD22 ' CE2' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -126.54 6.99 6.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.405 ' OD1' ' OD1' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -138.66 14.82 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 53.86 36.15 23.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.41 ' OD2' ' OD1' ' A' ' 51' ' ' ASP . 2.2 p30 -112.88 -35.33 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.412 ' C ' ' CG ' ' A' ' 46' ' ' ARG . . . 147.78 -72.56 0.31 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.536 ' HD2' ' CD2' ' A' ' 26' ' ' TYR . 2.2 mtp85 -154.39 -70.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.5 HG21 ' CD1' ' A' ' 23' ' ' LEU . 16.5 m -139.25 71.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.9 OUTLIER -59.15 -40.63 86.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 1.4 m 164.3 -31.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 m -85.89 -26.03 25.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.442 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -86.08 -40.24 15.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -38.53 -46.2 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -59.28 -80.21 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.464 HG23 ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -40.16 -39.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 109.379 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.532 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 0.7 OUTLIER -60.75 -60.38 3.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.522 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -68.89 -5.48 21.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -91.86 -55.92 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.675 ' CE2' ' CD1' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -71.06 -31.9 68.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.623 HG23 ' CD2' ' A' ' 58' ' ' TYR . 1.5 pp -76.3 -1.87 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 tp -69.55 -33.2 72.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.432 ' NZ ' ' OE1' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -175.81 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 63' ' ' ILE . 4.2 mt-10 -53.95 -17.14 2.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.7 OUTLIER -34.55 109.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER 153.79 -23.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.19 -48.91 0.55 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.675 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 7.1 tt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -170.45 153.26 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.546 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 50.1 t80 -150.12 101.98 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 95.92 52.42 1.65 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.093 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -98.43 150.22 21.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.606 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 66.2 t -100.17 -59.74 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.064 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -104.04 22.04 15.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.087 . . . . 0.0 109.391 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.419 ' OD1' ' CD1' ' A' ' 5' ' ' LEU . 9.6 t0 49.9 45.94 24.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.6 -45.55 5.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.8 -52.92 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' CD ' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -173.76 170.45 3.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.249 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.606 ' CG2' ' CG2' ' A' ' 9' ' ' VAL . 13.7 p -91.26 110.82 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.459 ' ND2' ' CD ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -152.96 -172.47 4.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -45.52 -25.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.41 ' N ' ' C ' ' A' ' 16' ' ' ASN . 75.8 m -69.06 -43.61 74.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.451 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' ASN . 87.4 m-20 -92.23 22.19 4.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.72 84.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.9 t -46.82 -60.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 25' ' ' ARG . . . -65.89 -56.44 11.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.485 HD11 ' CG2' ' A' ' 47' ' ' VAL . 0.1 OUTLIER -40.74 -57.91 1.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -44.47 20.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.505 ' O ' ' CD ' ' A' ' 29' ' ' ARG . 5.3 mtt180 -69.3 -28.1 65.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.708 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 5.0 t80 -80.79 -38.55 28.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -78.11 -36.6 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 tt -75.82 -40.92 54.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -150.7 -170.44 3.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.155 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.3 p -132.09 58.42 1.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -100.91 -56.38 0.9 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.467 ' CD1' HG21 ' A' ' 34' ' ' ILE . 2.5 pp -59.74 178.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.785 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -136.83 120.99 17.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.467 HG21 ' CD1' ' A' ' 32' ' ' ILE . 5.4 pt -129.99 168.99 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.428 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 2.2 m-80 -69.87 61.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.376 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -58.01 -24.87 60.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.7 OUTLIER -37.35 -68.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.46 ' CG ' ' O ' ' A' ' 38' ' ' ASN . 9.7 t30 -116.54 66.52 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.49 -67.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.512 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 47.4 t0 -59.64 149.94 28.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.546 HD22 ' CZ ' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -148.45 -45.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.426 ' CG ' ' OD1' ' A' ' 51' ' ' ASP . 2.8 m120 -85.11 3.98 36.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 75.01 36.21 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 110.362 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' A' ' 51' ' ' ASP . 5.2 p-10 -115.49 -33.8 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.59 -66.35 0.5 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.708 ' CZ ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -145.0 -89.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 0.759 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.485 ' CG2' HD11 ' A' ' 23' ' ' LEU . 3.6 m -135.0 72.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -59.5 -40.83 88.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 166.31 -30.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.9 m -82.87 -36.86 25.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.424 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.426 ' OD1' ' CG ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -74.72 -42.45 58.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.494 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -49.31 -44.46 44.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.82 -26.35 17.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -90.19 -37.49 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.58 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 1.6 mm? -61.34 -61.26 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.513 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.95 -6.31 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 0.0 109.345 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.428 ' H ' ' C ' ' A' ' 55' ' ' LEU . 3.9 ttt180 -89.49 -49.54 6.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.241 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.671 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -91.39 -42.71 10.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.641 ' N ' ' CD1' ' A' ' 58' ' ' TYR . 1.4 pp -50.25 -22.25 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -45.79 -60.33 2.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -179.36 38.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -131.7 5.85 4.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.561 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -41.01 156.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 1.6 t0 151.51 -63.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.464 ' O ' ' O ' ' A' ' 66' ' ' LEU . 1.1 t -134.73 5.76 3.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.443 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.514 HD13 ' CD2' ' A' ' 58' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.401 1.063 . . . . 0.0 109.254 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.8 mttm . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 1.2 pt? -174.09 147.84 1.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.607 ' CE1' ' OD1' ' A' ' 38' ' ' ASN . 45.7 t80 -150.35 116.89 5.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.53 ' O ' ' CG1' ' A' ' 15' ' ' VAL . . . 75.66 59.27 3.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -90.28 149.98 22.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.622 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 74.7 t -99.92 -59.61 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.444 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 4.5 p30 -105.43 27.41 8.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 50.04 45.84 25.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -100.58 -54.64 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -159.67 -42.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.28 -172.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.622 ' CG2' ' CG2' ' A' ' 9' ' ' VAL . 11.1 p -111.39 103.36 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.488 ' OD1' ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -145.35 -160.51 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.218 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.9 t -60.11 -15.13 20.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 m -75.34 -42.12 55.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.467 1.104 . . . . 0.0 110.408 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.444 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.2 m-20 -101.8 26.3 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.31 -23.86 65.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.2 t -55.52 -60.45 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.547 1.154 . . . . 0.0 109.221 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.28 -27.34 66.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -60.69 -60.22 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -49.13 -40.07 31.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -29.81 70.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.24 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.602 ' CD1' ' NE ' ' A' ' 46' ' ' ARG . 1.8 t80 -78.89 -50.18 11.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 111.07 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 t -50.66 -48.94 26.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -39.71 81.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.395 1.059 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.434 ' C ' ' CD ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 173.63 172.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.1 m -86.79 108.05 18.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.82 -66.13 0.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.46 177.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.7 p -115.03 119.97 38.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.033 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.502 ' CD1' ' CD2' ' A' ' 26' ' ' TYR . 6.7 pt -138.08 174.22 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -93.9 49.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.415 1.072 . . . . 0.0 109.246 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.581 ' HB ' ' CE2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -44.9 -25.18 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.37 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.86 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.607 ' OD1' ' CE1' ' A' ' 6' ' ' TYR . 6.6 t-20 -63.84 -25.08 68.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.406 ' N ' ' HA2' ' A' ' 7' ' ' GLY . . . -64.41 -55.35 21.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.436 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 11.3 t0 -64.75 135.72 56.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.582 HD23 ' CE2' ' A' ' 6' ' ' TYR . 34.4 mt -143.59 14.74 1.78 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 0.3 OUTLIER -152.81 20.79 0.6 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 38.1 mt-10 61.82 49.01 5.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.428 ' CB ' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -124.34 -37.38 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 135.49 -60.56 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.418 1.074 . . . . 0.0 111.03 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.602 ' NE ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -140.51 -73.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 0.781 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.407 ' CG1' ' C ' ' A' ' 46' ' ' ARG . 4.8 m -153.52 146.9 14.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.428 ' OD1' ' CB ' ' A' ' 44' ' ' ASP . 33.5 m120 -120.43 -61.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.426 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 14.5 p -159.23 -40.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.115 . . . . 0.0 110.08 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 m -85.31 -27.83 25.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.449 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.421 ' OD2' ' OD1' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -70.9 -60.4 2.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.337 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.426 ' CD2' ' HA ' ' A' ' 49' ' ' SER . 3.1 pp -41.93 -46.42 4.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.0 -75.6 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -45.56 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.562 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -58.06 -55.81 30.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.511 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -64.0 -6.53 6.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.02 -45.35 8.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.697 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -88.72 -30.79 18.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.658 ' CG2' ' CZ ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -74.59 -1.78 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -50.14 59.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.243 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.443 ' CD ' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER 178.89 -32.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.226 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -67.45 -1.53 4.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.09 . . . . 0.0 110.243 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.466 ' C ' ' O ' ' A' ' 62' ' ' GLU . 6.8 tt -35.02 135.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 65' ' ' THR . 6.2 m-20 176.65 64.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 0.6 OUTLIER 83.52 7.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.437 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 58' ' ' TYR . 3.8 tt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.546 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -174.72 149.52 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -148.43 136.79 21.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 58.78 49.44 77.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.135 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.454 ' O ' ' CG ' ' A' ' 35' ' ' ASN . 1.8 t0 -85.15 123.4 30.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.468 ' CG2' HG23 ' A' ' 15' ' ' VAL . 3.3 t -76.56 -61.2 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -103.13 29.3 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.412 ' HA ' ' CG ' ' A' ' 8' ' ' ASP . 31.3 m-20 48.04 42.5 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -96.42 -52.21 4.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -163.69 -47.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.564 1.165 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.447 ' CD ' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -175.91 176.98 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 0.778 . . . . 0.0 109.346 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.468 HG23 ' CG2' ' A' ' 9' ' ' VAL . 7.2 p -94.48 108.06 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.447 ' ND2' ' CD ' ' A' ' 14' ' ' LYS . 1.6 p30 -148.19 -172.27 4.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.8 t -50.12 -22.24 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.402 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 99.1 m -70.23 -44.58 68.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 14' ' ' LYS . 89.4 m-20 -96.6 24.63 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 21' ' ' VAL . . . -65.23 -41.48 94.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' ALA . 2.8 t -39.62 -61.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.03 -41.38 99.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 46' ' ' ARG . 2.1 tt -50.39 -60.28 3.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.374 1.046 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -42.15 -47.37 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -41.33 97.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.378 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.441 ' CD2' ' HD3' ' A' ' 46' ' ' ARG . 19.7 t80 -58.28 -54.22 49.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 t -60.41 -45.77 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.09 -47.27 78.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.9 -176.37 3.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.246 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.45 81.3 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.06 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.94 -65.29 0.35 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.49 ' CD1' HG22 ' A' ' 34' ' ' ILE . 2.7 pp -59.37 172.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 0.793 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.76 141.31 51.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.49 HG22 ' CD1' ' A' ' 32' ' ' ILE . 1.5 pt -150.54 178.39 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -81.38 43.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.436 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -39.38 -29.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.441 ' N ' ' C ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -43.38 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -100.4 42.15 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.436 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -74.66 -97.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -77.83 -175.65 4.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -128.68 -47.21 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 5.2 m120 -61.52 -16.94 52.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 6.7 tt0 80.58 49.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.4 -32.82 5.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.06 -66.99 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.488 ' CZ ' ' HA ' ' A' ' 23' ' ' LEU . 6.9 mtp180 -152.92 -85.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 0.0 110.356 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.463 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 15.4 m -135.79 75.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 49' ' ' SER . 15.2 p30 -60.24 -31.29 70.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 158.75 -26.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.577 1.173 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.0 m -80.67 -35.62 33.5 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 52' ' ' LEU . 4.3 m-20 -89.84 -24.61 21.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -40.33 -60.67 1.04 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -62.34 -49.32 75.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -41.58 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.273 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.514 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.2 mm? -65.28 -61.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.428 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -61.98 -7.83 4.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.3 OUTLIER -89.51 -58.31 2.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.66 ' CD2' HG23 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -74.85 -24.19 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.66 HG23 ' CD2' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -90.14 -8.29 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.462 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -56.76 -33.62 66.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.462 ' CD ' ' HB3' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -177.41 -35.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -60.98 -7.9 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.556 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -27.82 109.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 109.224 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.423 ' N ' HD12 ' A' ' 63' ' ' ILE . 0.1 OUTLIER 161.42 -27.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 t -162.12 133.99 5.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.586 ' HG ' ' CD2' ' A' ' 58' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.4 mptt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mp -118.77 148.14 43.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.565 ' CE2' HD12 ' A' ' 66' ' ' LEU . 62.0 t80 -116.96 96.54 5.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.502 ' HA3' ' C ' ' A' ' 38' ' ' ASN . . . 30.04 55.74 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.515 ' CB ' ' HA ' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -56.39 150.97 13.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 109.234 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.519 ' CG1' ' CB ' ' A' ' 22' ' ' ALA . 2.0 t -79.43 -59.51 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.403 ' OD1' ' OD2' ' A' ' 19' ' ' ASP . 6.0 p30 -105.52 17.64 23.53 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.515 ' HA ' ' CB ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER 48.64 54.37 10.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.51 ' CG ' ' N ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -120.69 -50.49 2.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.51 ' N ' ' CG ' ' A' ' 12' ' ' ASP . . . -138.26 -62.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.43 164.26 3.11 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.476 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 7.1 p -80.77 90.96 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -147.0 -174.25 4.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 t -46.62 -39.38 11.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -54.01 -25.37 20.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' OD2' ' OD1' ' A' ' 10' ' ' ASN . 1.4 m-20 -110.48 21.75 16.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 24' ' ' LYS . . . -59.93 -20.52 57.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.13 -59.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.223 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.519 ' CB ' ' CG1' ' A' ' 9' ' ' VAL . . . -69.43 -50.88 41.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.467 HD13 ' CG2' ' A' ' 27' ' ' VAL . 3.8 tp -47.58 -56.46 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 13.8 ttpt -43.8 -46.9 7.97 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.478 1.111 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -34.78 78.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.658 ' CE1' ' NE ' ' A' ' 46' ' ' ARG . 8.3 t80 -71.26 -42.67 68.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.467 ' CG2' HD13 ' A' ' 23' ' ' LEU . 47.0 t -67.38 -38.52 80.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.0 mt -65.59 -40.54 92.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -165.43 161.14 18.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.281 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.68 73.23 6.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.068 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.18 -54.82 0.23 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.508 ' CD1' ' CG2' ' A' ' 34' ' ' ILE . 0.0 OUTLIER -60.1 154.67 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.68 126.97 53.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.071 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.517 HG12 ' CE2' ' A' ' 26' ' ' TYR . 9.1 pt -139.99 169.61 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.227 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 13.1 m-20 -87.33 47.37 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.481 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 14.8 t -62.82 -8.65 7.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.24 -45.32 93.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.502 ' C ' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -121.1 34.22 5.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -104.66 -73.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -68.53 126.74 30.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.18 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 mp -124.53 15.64 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.387 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -124.77 0.39 8.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 2.8 tt0 68.96 46.29 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.32 -36.84 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.437 ' HA3' ' NE ' ' A' ' 46' ' ' ARG . . . 148.29 -72.62 0.3 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.658 ' NE ' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -146.14 -63.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.773 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.465 HG12 ' CD2' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -162.97 92.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -79.53 -46.98 16.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.169 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 81.9 p 179.43 -36.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.952 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 m -67.71 -46.76 71.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.5 ' HB3' ' CD1' ' A' ' 55' ' ' LEU . 1.2 m-20 -65.65 -46.42 79.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.425 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -44.3 -59.76 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.63 -75.17 0.14 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -43.21 -47.06 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.56 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -52.4 -60.2 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.521 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 10.1 tttt -57.74 -10.48 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.431 ' N ' ' C ' ' A' ' 55' ' ' LEU . 0.6 OUTLIER -90.04 -46.48 8.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.676 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -90.17 -39.67 12.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.596 HG21 ' CE2' ' A' ' 58' ' ' TYR . 1.3 pp -59.85 -21.85 22.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.407 1.067 . . . . 0.0 109.24 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.26 -54.52 16.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -174.4 34.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.9 mt-10 -121.61 -6.74 9.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.256 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.502 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 1.9 tp -40.19 116.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 5.9 m-20 156.35 -25.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.02 -46.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.516 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.652 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 5' ' ' LEU . 2.3 pt? -167.17 138.0 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.565 ' CE1' HD21 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -136.34 128.29 29.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.505 ' O ' ' CG1' ' A' ' 15' ' ' VAL . . . 64.2 57.15 14.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.095 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.419 ' OD2' ' CD1' ' A' ' 5' ' ' LEU . 3.8 t0 -91.86 145.54 24.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 0.72 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.45 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 1.4 t -94.33 -56.37 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.418 ' N ' HG13 ' A' ' 9' ' ' VAL . 1.4 p30 -102.2 17.6 22.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 49.35 48.43 21.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.1 -47.39 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.73 -57.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.399 1.062 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.79 160.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 7' ' ' GLY . 10.1 p -77.72 112.97 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 19' ' ' ASP . 7.3 p-10 -151.62 -174.0 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.369 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -48.45 -23.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.7 m -73.28 -31.56 64.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.386 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 16' ' ' ASN . 0.6 OUTLIER -102.04 16.95 24.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . -59.43 -41.18 88.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' ALA . 95.7 t -39.74 -60.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.476 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . . . -67.89 -29.86 69.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 47' ' ' VAL . 1.6 tp -58.57 -60.25 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -45.74 -45.14 14.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -62.87 -34.39 77.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.651 ' CD1' ' NE ' ' A' ' 46' ' ' ARG . 10.9 t80 -80.05 -32.29 39.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 23' ' ' LEU . 21.8 t -71.47 -49.73 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.96 -41.89 64.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.568 1.168 . . . . 0.0 109.345 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.86 172.25 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.75 95.13 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.032 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.64 -44.1 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 19.3 tt -59.52 163.72 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.527 0.781 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.74 124.93 53.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pt -150.01 158.28 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.481 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -81.73 55.59 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 t -68.29 -8.04 36.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.02 -59.07 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.365 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 7' ' ' GLY . 3.2 p-10 -115.96 63.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.471 ' HA ' ' CA ' ' A' ' 7' ' ' GLY . . . -122.79 -84.82 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.23 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 5.3 t70 -41.42 133.53 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER -139.26 13.82 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.265 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.464 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 0.3 OUTLIER -143.96 15.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 34.2 mt-10 62.78 50.49 3.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.426 ' OD2' ' HB2' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -125.58 -36.51 2.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.448 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 127.8 -58.04 0.7 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.651 ' NE ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -145.48 -88.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 0.748 . . . . 0.0 110.314 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.485 HG12 ' CD1' ' A' ' 55' ' ' LEU . 27.4 m -139.11 102.22 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.96 -39.83 33.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.61 -36.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -81.48 -60.72 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.38 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.48 ' HB3' ' CD1' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -43.65 -53.91 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -39.54 -47.45 1.9 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.71 -53.14 47.55 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.432 ' CG2' ' HG ' ' A' ' 66' ' ' LEU . 10.9 mm -58.33 -44.98 89.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 0.732 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.621 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 1.1 mp -56.96 -61.49 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.488 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.6 OUTLIER -59.87 -8.4 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.428 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -91.42 -50.79 5.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.377 1.048 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.658 ' CZ ' ' CG2' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -86.75 -25.51 24.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.658 ' CG2' ' CZ ' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -81.42 -14.77 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' A' ' 61' ' ' LYS . 5.4 tp -49.99 -39.72 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -179.28 -34.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.442 1.089 . . . . 0.0 109.363 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.653 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.3 tt0 -55.46 -13.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.345 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.653 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -16.0 110.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 65' ' ' THR . 6.9 p-10 -176.81 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.421 ' N ' ' OD1' ' A' ' 64' ' ' ASP . 15.4 t -170.32 157.37 6.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 66' ' ' LEU . 6.7 tt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -174.23 130.58 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.592 ' CE1' ' OD1' ' A' ' 38' ' ' ASN . 28.3 t80 -139.45 110.58 6.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.392 1.058 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 83.79 48.2 5.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 13' ' ' GLY . 2.9 t0 -86.33 121.14 28.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 0.726 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.472 HG22 ' CG2' ' A' ' 15' ' ' VAL . 4.8 t -73.44 -61.23 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 5.6 p30 -103.56 30.44 5.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.601 1.188 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.441 ' HA ' ' CG ' ' A' ' 8' ' ' ASP . 2.8 m-20 47.62 46.58 17.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -101.44 -54.89 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.461 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -160.73 -47.1 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.43 -176.84 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.472 ' CG2' HG22 ' A' ' 9' ' ' VAL . 7.3 p -104.58 102.98 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -146.82 -163.02 1.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.8 t -58.0 -17.32 16.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.7 m -72.22 -48.63 41.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.446 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.5 m-20 -93.56 23.12 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -59.51 -36.66 76.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.1 m -45.76 -58.59 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.464 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . . . -69.63 -22.36 63.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.471 HD22 ' CG2' ' A' ' 47' ' ' VAL . 1.5 tp -66.77 -59.42 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.37 -43.29 16.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -32.37 72.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 3.7 t80 -85.97 -33.63 21.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.88 -46.09 94.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -51.47 61.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -155.49 148.42 24.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.4 t -81.92 70.67 8.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.976 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.04 -37.5 1.03 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 15.1 tt -59.84 163.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 0.789 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.1 119.21 38.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.961 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.463 ' CG2' HG13 ' A' ' 9' ' ' VAL . 4.2 pt -151.03 171.38 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.176 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.556 ' C ' ' ND2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -83.87 41.54 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.466 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 1.2 t -38.3 -29.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 110.426 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 35' ' ' ASN . 2.6 m-20 -56.74 -67.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.592 ' OD1' ' CE1' ' A' ' 6' ' ' TYR . 8.0 t30 -75.39 -3.66 34.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -85.31 -66.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 46.5 t0 -59.7 146.53 40.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.468 HD21 ' CE2' ' A' ' 6' ' ' TYR . 9.9 mt -146.7 -49.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 39.6 p-10 -79.99 0.29 32.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 1.7 tt0 80.23 41.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -114.25 -34.83 5.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.411 ' C ' ' HD3' ' A' ' 46' ' ' ARG . . . 134.74 -57.47 0.69 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.445 1.091 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.697 ' CZ ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -148.42 -80.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 0.0 110.343 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.494 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 13.1 m -150.67 78.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.402 1.064 . . . . 0.0 109.25 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 49' ' ' SER . 7.4 p30 -63.3 -29.89 71.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 159.15 -26.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.055 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.2 m -81.48 -44.28 17.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.92 -32.02 45.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -41.18 -52.57 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -57.96 -68.99 1.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -40.04 -45.27 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.561 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 2.1 mm? -56.84 -61.67 2.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.508 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -66.55 -3.31 6.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -90.31 -47.41 7.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.696 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -91.26 -40.61 11.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.661 HG22 ' CE2' ' A' ' 58' ' ' TYR . 1.1 pp -58.08 -17.74 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 tp -52.41 -59.51 4.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.92 34.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' ILE . 15.1 mt-10 -124.36 -0.11 8.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -39.53 121.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 169.2 -54.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 t -123.98 -37.81 2.54 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.588 HD11 ' CE2' ' A' ' 58' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.598 1.186 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.44 ' CE ' ' OD1' ' A' ' 64' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -178.94 170.65 1.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.603 ' CE2' HD23 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -137.38 113.76 10.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.56 ' H ' ' ND2' ' A' ' 38' ' ' ASN . . . 34.15 58.97 0.63 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.432 1.082 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.513 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 0.8 OUTLIER -57.16 151.63 15.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.577 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 57.9 t -88.87 -54.89 7.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.432 ' C ' ' CG ' ' A' ' 11' ' ' ASP . 2.1 p30 -116.12 24.62 11.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.432 ' CG ' ' C ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER 48.88 52.62 13.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.64 -33.06 6.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.414 ' C ' ' HG3' ' A' ' 14' ' ' LYS . . . -174.34 -59.69 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.45 ' CD ' ' OD1' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -167.19 168.43 13.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.347 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.577 ' CG2' ' CG2' ' A' ' 9' ' ' VAL . 9.5 p -86.39 111.71 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 0.2 OUTLIER -160.43 -174.2 4.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.373 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.1 t -47.47 -31.22 4.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.983 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.1 m -57.61 -25.88 60.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.436 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -114.41 23.15 13.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.64 -16.9 29.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.242 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.8 t -62.95 -60.34 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.24 -51.26 39.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.475 ' CD1' HG23 ' A' ' 47' ' ' VAL . 1.3 tp -43.8 -57.04 3.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.71 -45.87 29.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -26.54 67.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.679 ' CE1' ' NH1' ' A' ' 46' ' ' ARG . 1.5 t80 -77.35 -59.41 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.6 t -49.98 -41.24 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.225 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -48.28 75.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -162.05 163.33 28.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.1 p -95.99 109.63 21.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.05 -59.9 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.451 1.094 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.0 158.11 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.59 119.47 39.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.463 HD13 ' CD ' ' A' ' 46' ' ' ARG . 4.2 pt -136.94 176.61 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 1.8 m-20 -93.71 60.65 3.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.474 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 2.9 t -68.93 -7.48 35.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.413 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.56 -65.47 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.56 ' ND2' ' H ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -105.95 42.25 1.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -94.58 -86.47 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.431 ' HB2' ' CA ' ' A' ' 46' ' ' ARG . 4.0 t70 -77.13 143.89 38.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.603 HD23 ' CE2' ' A' ' 6' ' ' TYR . 1.1 mm? -125.63 35.37 4.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.407 ' OD1' ' OD1' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -138.33 10.47 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.421 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 0.7 OUTLIER 62.36 50.68 3.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.473 ' CB ' ' OD1' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -124.03 -38.44 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.49 ' CA ' ' NH1' ' A' ' 46' ' ' ARG . . . 147.62 -73.54 0.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.575 1.172 . . . . 0.0 111.014 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.679 ' NH1' ' CE1' ' A' ' 26' ' ' TYR . 2.0 mtm-85 -137.21 -83.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.475 HG23 ' CD1' ' A' ' 23' ' ' LEU . 20.8 m -141.03 120.54 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.473 ' OD1' ' CB ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -99.82 -44.68 5.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.1 t 179.44 -36.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.531 1.144 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.4 m -75.94 -38.79 57.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 110.384 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 52' ' ' LEU . 1.5 m-20 -67.14 -58.48 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -39.18 -42.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.29 -70.44 0.97 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.461 HG22 ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -52.82 -39.56 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.555 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 0.2 OUTLIER -60.26 -59.39 5.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.506 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -61.3 -8.18 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -90.45 -48.7 6.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.68 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -87.46 -40.02 14.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.632 HG22 ' CE2' ' A' ' 58' ' ' TYR . 1.3 pp -57.94 -17.26 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -32.0 62.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.78 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.488 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 mt-10 -54.57 -15.87 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.075 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.488 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -33.09 110.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.44 ' OD1' ' CE ' ' A' ' 4' ' ' LYS . 2.0 t70 166.28 -54.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 t -118.46 -34.15 4.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.673 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 1.2 tt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.481 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 1.4 pt? -176.24 154.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.496 ' CE1' HD22 ' A' ' 41' ' ' LEU . 2.4 t80 -150.36 124.99 9.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.39 1.056 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.472 ' O ' ' CG1' ' A' ' 15' ' ' VAL . . . 63.73 61.79 5.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.579 1.175 . . . . 0.0 111.024 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.78 150.15 21.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 109.375 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.54 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 84.4 t -99.22 -56.04 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.375 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.42 ' O ' ' CG ' ' A' ' 11' ' ' ASP . 1.4 p30 -108.01 25.18 11.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 10' ' ' ASN . 3.8 p-10 48.76 41.48 18.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.33 -51.8 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.93 -48.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' CD ' ' HB ' ' A' ' 59' ' ' ILE . 0.4 OUTLIER 179.59 168.08 1.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 0.754 . . . . 0.0 109.236 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.54 ' CG2' ' CG2' ' A' ' 9' ' ' VAL . 14.7 p -85.23 110.14 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.447 ' N ' HD21 ' A' ' 16' ' ' ASN . 0.4 OUTLIER -149.55 -173.96 4.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 t -48.56 -23.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.2 m -69.82 -42.28 73.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 110.412 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -92.48 25.45 3.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.434 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -62.35 -38.74 90.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.24 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ALA . 71.1 t -40.67 -60.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.461 ' CA ' HD13 ' A' ' 32' ' ' ILE . . . -68.89 -30.53 69.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.528 ' CD1' ' CG2' ' A' ' 47' ' ' VAL . 0.9 OUTLIER -57.89 -60.37 3.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -46.11 -47.23 17.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.406 1.066 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 29' ' ' ARG . 1.1 mtt-85 -62.78 -32.73 73.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 2.9 t80 -73.14 -45.73 55.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.63 -46.71 92.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 109.328 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.63 -45.13 92.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -172.91 178.57 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.267 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.59 96.01 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -134.85 -50.06 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.461 HD13 ' CA ' ' A' ' 22' ' ' ALA . 1.1 pt -59.84 157.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m -101.13 120.97 40.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.557 HD11 ' CD2' ' A' ' 26' ' ' TYR . 2.9 pt -141.39 178.7 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.84 64.79 1.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 37' ' ' ASP . 5.5 t -66.98 -11.08 55.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' THR . 2.8 m-20 -39.67 -72.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.18 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.406 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.8 OUTLIER -110.65 55.53 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.437 ' HA ' ' CA ' ' A' ' 7' ' ' GLY . . . -109.25 -73.03 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -54.4 138.18 40.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' ' 6' ' ' TYR . 3.4 mt -134.46 -46.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.47 ' ND2' ' OD2' ' A' ' 44' ' ' ASP . 47.8 p-10 -81.75 5.35 18.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 66.7 36.42 4.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.47 ' OD2' ' ND2' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -113.86 -31.97 6.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 143.82 -68.21 0.43 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -147.71 -77.76 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 0.79 . . . . 0.0 110.235 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.528 ' CG2' ' CD1' ' A' ' 23' ' ' LEU . 1.8 m -140.71 75.93 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.73 -46.9 87.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.89 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.0 m -86.65 -37.91 17.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.142 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -65.51 -49.87 67.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -46.14 -49.38 16.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.419 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -52.97 -24.99 22.52 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -90.38 -43.55 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.568 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 1.7 mp -64.54 -54.18 36.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.497 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -61.85 -5.91 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.244 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -90.82 -48.57 6.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.674 ' CZ ' ' CG2' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -90.35 -27.35 19.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.674 ' CG2' ' CZ ' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -78.54 0.36 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.61 1.193 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -71.45 -53.73 12.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -176.97 -32.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.5 mt-10 -71.2 5.03 2.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.207 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.479 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -33.96 131.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 1.9 m-20 158.98 57.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 0.0 109.372 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 64' ' ' ASP . 24.7 m 73.7 77.23 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.392 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.583 ' HB3' ' CD2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.5 tptm . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.509 ' CD2' ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -164.22 147.75 9.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.526 ' CZ ' HD21 ' A' ' 41' ' ' LEU . 16.6 t80 -145.55 110.95 5.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.509 ' O ' ' CG1' ' A' ' 15' ' ' VAL . . . 80.38 59.38 2.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -91.83 151.01 20.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.58 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 55.3 t -96.31 -60.36 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -109.06 27.36 9.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 49.8 50.25 18.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.02 -51.71 2.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.413 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -160.36 -47.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.482 ' HG3' ' CG2' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -177.06 167.62 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 0.0 109.343 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.58 ' CG2' ' CG2' ' A' ' 9' ' ' VAL . 12.6 p -86.39 111.87 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.403 ' ND2' HG22 ' A' ' 18' ' ' THR . 1.0 OUTLIER -160.01 -173.03 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 10.9 t -41.87 -43.28 2.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 109.955 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.403 HG22 ' ND2' ' A' ' 16' ' ' ASN . 3.1 t -46.74 -39.34 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.476 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -104.42 29.94 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.593 1.183 . . . . 0.0 109.362 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -65.95 -15.41 62.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.344 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.5 t -76.65 -60.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . . . -66.44 -19.47 65.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 1.7 tm? -78.78 -60.26 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -49.74 -29.28 7.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -72.79 -31.81 65.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.712 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 5.3 t80 -84.6 -40.87 16.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -36.23 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.9 tp -77.65 -17.12 58.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.142 . . . . 0.0 109.382 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 176.19 119.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.8 p -69.61 76.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.989 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.422 ' N ' ' HD3' ' A' ' 29' ' ' ARG . . . -128.38 -42.48 0.25 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.587 1.18 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 4.0 tt -59.5 155.89 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.408 ' N ' HG12 ' A' ' 32' ' ' ILE . 27.8 p -100.96 120.63 40.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.472 ' CD1' ' HD2' ' A' ' 46' ' ' ARG . 3.6 pt -146.04 153.47 13.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.503 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -69.81 63.15 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.469 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 14.1 t -70.74 -4.22 22.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.414 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.3 -62.17 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.478 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -119.59 45.93 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -101.64 -53.85 2.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.524 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 4.2 t70 -66.96 141.39 57.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.526 HD21 ' CZ ' ' A' ' 6' ' ' TYR . 8.7 mt -143.68 14.81 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.438 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.0 m120 -145.61 11.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.502 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 3.1 tt0 67.33 47.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -126.81 -35.85 2.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.524 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 134.06 -54.6 0.76 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.712 ' CZ ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -149.83 -87.19 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.466 ' CG2' ' HG ' ' A' ' 23' ' ' LEU . 6.0 m -140.16 139.5 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.91 -44.48 2.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.513 ' O ' ' CD1' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -178.26 -36.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.5 m -97.71 -27.72 14.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.46 ' CB ' ' HA ' ' A' ' 47' ' ' VAL . 0.2 OUTLIER -64.29 -58.18 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.18 . . . . 0.0 109.244 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.543 ' C ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -44.7 -36.92 3.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.496 ' N ' ' CD1' ' A' ' 52' ' ' LEU . . . -53.78 -34.81 51.5 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.528 1.142 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.448 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -80.43 -48.95 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.34 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.549 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 4.2 mm? -52.01 -61.44 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.435 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.95 -14.16 5.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -88.05 -60.87 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 110.251 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.646 ' CD2' ' CD1' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -67.99 -25.64 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.645 HG21 ' CD2' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -88.97 0.81 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.77 -34.39 76.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.482 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER 179.45 -34.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.49 ' O ' ' C ' ' A' ' 63' ' ' ILE . 10.9 mm-40 -59.34 -11.36 4.11 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.56 1.162 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.541 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -33.28 120.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER 152.55 -54.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 t -120.19 -32.23 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.646 ' CD1' ' CD2' ' A' ' 58' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.2 mttt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.433 ' CD1' ' OD1' ' A' ' 11' ' ' ASP . 1.1 pt? -173.02 129.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.65 ' CZ ' ' CD1' ' A' ' 41' ' ' LEU . 28.5 t80 -133.34 95.12 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 67.38 41.03 91.57 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.445 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 6.8 t0 -59.41 154.01 17.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 0.797 . . . . 0.0 109.225 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.431 HG13 ' CG2' ' A' ' 34' ' ' ILE . 21.7 t -90.17 -60.84 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.467 ' ND2' ' OD2' ' A' ' 12' ' ' ASP . 8.1 p30 -88.43 -13.67 39.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.439 ' HA ' ' HB3' ' A' ' 8' ' ' ASP . 6.8 t0 70.66 50.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.467 ' OD2' ' ND2' ' A' ' 10' ' ' ASN . 0.9 OUTLIER -118.2 -34.34 4.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 12' ' ' ASP . . . -150.71 -67.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -171.98 158.88 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.451 HG11 ' CD1' ' A' ' 55' ' ' LEU . 2.7 p -78.71 114.78 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 14' ' ' LYS . 1.1 p30 -160.19 -174.36 4.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 t -48.59 -23.36 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.403 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 94.1 m -70.56 -34.69 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.423 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.457 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 63.4 m-20 -92.83 25.53 3.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.59 -35.25 75.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.2 t -47.84 -60.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.465 ' CB ' HD11 ' A' ' 32' ' ' ILE . . . -67.48 -19.73 65.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' VAL . 2.6 tp -72.46 -61.82 1.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.378 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -40.45 -40.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -43.35 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.703 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 5.3 t80 -67.85 -31.8 71.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.45 HG22 ' NH2' ' A' ' 46' ' ' ARG . 24.0 t -70.35 -51.65 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.393 1.058 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -27.96 50.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' NH1' ' CA ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 178.26 173.35 0.64 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.18 86.19 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.067 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.473 ' CA ' ' NH1' ' A' ' 29' ' ' ARG . . . -133.05 -41.88 0.17 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.465 HD11 ' CB ' ' A' ' 22' ' ' ALA . 20.0 tt -59.1 157.77 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 0.784 . . . . 0.0 109.349 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -99.49 119.99 38.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 26' ' ' TYR . 2.4 pt -148.77 159.54 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' A' ' 39' ' ' ALA . 1.7 m-80 -65.33 73.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.543 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 0.5 OUTLIER -70.92 -0.43 9.21 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.44 -75.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.238 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.508 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -111.62 29.16 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.543 ' HB2' ' HA ' ' A' ' 36' ' ' THR . . . -68.51 -52.39 32.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.504 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 4.6 t70 -88.85 143.28 27.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.65 ' CD1' ' CZ ' ' A' ' 6' ' ' TYR . 2.1 mp -142.51 17.25 2.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 1.0 OUTLIER -146.62 18.33 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.266 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 57.32 33.69 23.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.412 ' OD2' ' OD1' ' A' ' 51' ' ' ASP . 10.4 m-20 -115.04 -31.83 5.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.504 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 126.35 -56.9 0.71 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.703 ' CZ ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -156.88 -95.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 110.22 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.537 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 6.8 m -130.93 82.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -77.02 -37.56 54.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.57 -34.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 109.944 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -79.88 -40.52 28.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.584 1.178 . . . . 0.0 110.361 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -75.92 -39.23 56.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.08 . . . . 0.0 109.244 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -38.97 -46.62 1.35 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -52.45 -83.55 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.483 HG22 ' CD2' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -43.12 -44.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.387 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.495 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 0.7 OUTLIER -53.69 -59.8 4.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.518 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -69.87 -5.45 25.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -91.71 -41.48 10.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.704 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -88.93 -41.69 12.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.675 HG21 ' CE2' ' A' ' 58' ' ' TYR . 1.6 pp -59.7 -23.93 27.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.39 -36.26 4.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.12 -34.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 63' ' ' ILE . 2.0 mt-10 -50.73 -18.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.512 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -31.11 100.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 62' ' ' GLU . 17.9 t0 170.43 -32.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.6 t -147.54 -45.58 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.42 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -174.7 160.66 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.233 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.414 ' CE1' HD23 ' A' ' 41' ' ' LEU . 2.2 t80 -148.88 115.14 5.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.528 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 56.22 61.9 6.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.563 1.165 . . . . 0.0 110.969 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.448 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 4.0 t0 -80.48 150.8 29.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.584 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 62.0 t -94.63 -60.21 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -106.06 24.12 12.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.235 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 t70 50.06 49.49 20.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.0 -49.53 3.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.18 -52.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.82 161.06 1.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.584 ' CG2' ' CG2' ' A' ' 9' ' ' VAL . 14.3 p -77.57 114.52 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 7.1 p-10 -152.41 -175.4 5.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -49.91 -22.16 1.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.993 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.2 m -68.57 -35.3 77.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.423 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -100.18 21.88 12.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.73 -32.86 74.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.3 t -48.91 -60.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.449 ' O ' ' NH2' ' A' ' 46' ' ' ARG . . . -66.07 -19.79 65.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -72.62 -59.76 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -40.43 -43.97 1.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.386 1.054 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 29' ' ' ARG . 3.3 mtt-85 -67.62 -40.93 84.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 23' ' ' LEU . 33.6 t80 -59.87 -54.78 42.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.458 ' CG2' HD22 ' A' ' 23' ' ' LEU . 4.2 t -55.86 -49.23 76.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -53.99 52.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -153.86 -179.96 8.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.301 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.3 p -115.49 74.64 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.72 -54.65 0.56 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.446 ' CD1' HG21 ' A' ' 34' ' ' ILE . 1.1 pt -59.78 179.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 t -130.81 128.28 40.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.972 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.457 HD13 ' CZ ' ' A' ' 46' ' ' ARG . 2.7 pt -142.07 155.24 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.505 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -69.71 66.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.458 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 1.7 t -65.68 -11.65 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.173 . . . . 0.0 110.436 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.97 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.528 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -109.97 39.07 2.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.472 ' HA ' ' CA ' ' A' ' 7' ' ' GLY . . . -69.98 -82.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.483 ' HB2' ' CA ' ' A' ' 46' ' ' ARG . 8.8 t0 -91.89 164.93 13.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.439 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 2.2 mm? -113.3 -26.17 8.5 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 5.8 m120 -71.48 -16.26 62.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 2.4 tt0 81.46 50.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.4 ' CG ' ' HB2' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -121.88 -36.53 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.435 ' O ' ' CB ' ' A' ' 39' ' ' ALA . . . 159.87 -65.61 0.28 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.11 . . . . 0.0 111.059 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.483 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -161.8 -61.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.424 0.72 . . . . 0.0 110.335 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.1 m -141.41 113.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.1 -50.76 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.516 ' O ' ' CD1' ' A' ' 52' ' ' LEU . 0.4 OUTLIER 172.45 -32.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 1.178 . . . . 0.0 110.014 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.6 m -100.36 -14.44 18.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -90.25 -47.5 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.538 ' C ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -49.93 -37.64 32.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.611 1.195 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.467 ' N ' ' CD1' ' A' ' 52' ' ' LEU . . . -51.96 -44.91 56.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.427 1.08 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -72.21 -35.28 52.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.444 0.732 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.596 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -65.48 -61.62 1.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.5 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.82 -6.15 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -90.69 -54.46 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.671 ' CZ ' ' CG2' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -84.3 -28.64 26.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.671 ' CG2' ' CZ ' ' A' ' 58' ' ' TYR . 0.8 OUTLIER -76.02 -18.93 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 tp -40.78 -35.56 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.473 ' C ' ' H ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER 178.68 -29.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.204 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.6 mt-10 -78.16 25.74 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.575 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -33.87 143.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.575 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 9.6 t0 89.6 -27.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.2 m -79.33 52.05 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.584 ' HG ' ' CD2' ' A' ' 58' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.375 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.5 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -148.68 164.05 35.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.567 ' CE2' HD11 ' A' ' 66' ' ' LEU . 10.0 t80 -130.76 109.97 10.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.689 ' H ' ' ND2' ' A' ' 38' ' ' ASN . . . 37.58 55.03 1.72 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.473 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 6.0 t0 -61.94 154.36 26.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 22' ' ' ALA . 99.4 t -88.47 -60.71 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.448 ' ND2' ' OD2' ' A' ' 12' ' ' ASP . 11.8 p30 -90.82 -13.95 32.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.448 ' HA ' ' HB3' ' A' ' 8' ' ' ASP . 14.8 t0 71.38 50.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.448 ' OD2' ' ND2' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -116.89 -33.07 4.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.404 ' C ' ' OD2' ' A' ' 8' ' ' ASP . . . -152.91 -67.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.473 ' HE2' ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -173.75 150.58 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.765 . . . . 0.0 109.341 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.468 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 2.7 p -61.63 117.25 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.3 p30 -159.88 -165.3 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 41.8 t -59.08 -41.52 88.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.6 m -53.34 -26.43 19.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -96.88 18.31 14.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 109.36 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -61.68 -32.9 73.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 t -53.25 -61.14 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.477 ' HB3' ' CG1' ' A' ' 9' ' ' VAL . . . -65.88 -48.1 72.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.503 ' CD1' ' CG2' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -49.51 -54.43 17.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.432 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 63.7 tttt -44.2 -47.64 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.25 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -65.07 -34.56 78.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.115 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.651 ' CE1' ' NE ' ' A' ' 46' ' ' ARG . 34.2 t80 -74.91 -32.1 61.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.401 ' CG2' ' HG ' ' A' ' 23' ' ' LEU . 31.6 t -75.87 -51.52 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -34.33 62.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.82 173.42 4.53 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -106.44 85.78 2.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.555 1.159 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.72 -44.75 0.08 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 17.2 tt -59.96 154.6 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.415 ' C ' ' CG2' ' A' ' 34' ' ' ILE . 84.2 p -99.79 118.67 36.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.93 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.415 ' CG2' ' C ' ' A' ' 33' ' ' SER . 0.5 OUTLIER -150.22 151.0 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 0.9 OUTLIER -70.69 67.91 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 t -86.04 24.78 1.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -88.28 -39.18 14.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.689 ' ND2' ' H ' ' A' ' 7' ' ' GLY . 1.7 p-10 -121.61 12.8 10.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.41 ' CA ' ' HA3' ' A' ' 7' ' ' GLY . . . -85.78 -29.34 23.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 46.8 t0 -98.47 129.7 45.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -128.57 -42.54 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -84.33 6.85 21.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 65.85 43.95 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.8 p30 -116.19 -36.96 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 46' ' ' ARG . . . 144.45 -71.17 0.38 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.651 ' NE ' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -145.15 -82.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.503 ' CG2' ' CD1' ' A' ' 23' ' ' LEU . 15.6 m -139.18 75.41 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' CG ' ' N ' ' A' ' 49' ' ' SER . 8.3 p30 -61.53 -47.93 83.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 48' ' ' ASN . 3.1 t 178.4 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 110.083 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.07 -40.13 47.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.417 ' OD1' ' OD1' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -74.41 -41.62 60.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.22 -61.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -52.37 -58.83 9.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -48.27 -50.55 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.345 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.541 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 0.8 OUTLIER -59.39 -60.59 3.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.07 -7.94 2.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -91.95 -47.94 7.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.704 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -85.51 -39.57 17.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.67 HG23 ' CE2' ' A' ' 58' ' ' TYR . 1.2 pt -62.11 -13.85 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.427 1.079 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tp -56.37 -33.15 65.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.97 -36.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.509 ' O ' ' C ' ' A' ' 63' ' ' ILE . 55.5 mm-40 -51.86 -19.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.509 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -30.99 108.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 4.8 m-20 156.9 -23.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.9 t -139.05 -46.09 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.661 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 3.7 tt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -167.5 148.7 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.244 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.569 ' CE1' HD22 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -147.65 119.02 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 64.43 59.93 7.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 13' ' ' GLY . 3.5 t0 -89.73 121.03 31.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.789 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.49 ' CG1' ' NH2' ' A' ' 46' ' ' ARG . 72.2 t -74.93 -60.98 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -102.1 30.31 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.256 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.413 ' HA ' ' CG ' ' A' ' 8' ' ' ASP . 6.4 t0 48.37 41.84 17.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.611 1.194 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 1.4 t70 -92.91 -56.53 2.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.464 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -162.99 -42.51 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' CG ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -171.5 -165.7 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.276 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' GLY . 2.9 p -113.69 103.96 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.439 ' N ' HD21 ' A' ' 16' ' ' ASN . 0.5 OUTLIER -142.03 -172.23 3.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.169 . . . . 0.0 109.352 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.3 t -49.39 -23.84 1.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.4 m -65.45 -47.25 76.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 14' ' ' LYS . 96.4 m-20 -94.46 30.49 1.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.96 -2.03 42.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.6 t -76.54 -60.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.183 . . . . 0.0 109.251 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.84 -26.63 68.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.477 ' HA ' ' CZ ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -69.62 -56.73 6.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.46 -37.05 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -81.15 -29.75 34.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' LEU . 23.6 t80 -65.45 -33.93 77.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG2' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -90.43 -40.26 12.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.76 -31.86 70.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.54 ' O ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -125.02 -67.27 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.346 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 1.3 t 88.09 52.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.433 ' N ' ' CD ' ' A' ' 29' ' ' ARG . . . -151.79 48.82 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.402 ' CD1' ' CD1' ' A' ' 26' ' ' TYR . 1.6 pp -123.22 164.11 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.409 ' C ' HG23 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -95.31 118.39 31.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.518 ' CD1' ' HD2' ' A' ' 46' ' ' ARG . 24.8 pt -149.59 171.81 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.584 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -81.04 45.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.432 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 1.8 t -39.49 -28.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.422 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' ASN . 6.4 m-20 -39.49 -74.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -110.26 38.11 2.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.432 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -64.99 -67.98 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 43' ' ' GLU . 1.0 OUTLIER -115.04 165.14 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.569 HD22 ' CE1' ' A' ' 6' ' ' TYR . 2.3 mm? -114.7 -26.72 7.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.501 ' CB ' ' OD1' ' A' ' 44' ' ' ASP . 29.9 m120 -64.61 -11.61 36.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 4.4 mt-10 70.4 39.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.501 ' OD1' ' CB ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -116.46 -33.15 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.411 ' C ' ' HG3' ' A' ' 46' ' ' ARG . . . 156.78 -77.15 0.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.518 ' HD2' ' CD1' ' A' ' 34' ' ' ILE . 12.4 mtp180 -140.25 -73.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.441 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 16.0 m -144.63 100.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.92 -40.95 75.25 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.587 1.179 . . . . 0.0 109.225 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.463 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 0.4 OUTLIER 174.92 -34.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' ASP . 16.9 m -89.85 -51.63 5.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.44 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' A' ' 42' ' ' ASN . 1.0 OUTLIER -39.7 -56.09 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 49' ' ' SER . 3.1 pp -38.56 -54.48 1.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.407 ' N ' HD11 ' A' ' 52' ' ' LEU . . . -46.6 -74.61 0.22 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.1 -39.35 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.628 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 3.0 mm? -57.69 -63.39 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.509 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -64.79 -3.5 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.428 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -91.18 -49.2 6.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 110.266 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.675 ' CZ ' ' CG2' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -91.01 -30.71 16.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 110.957 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.675 ' CG2' ' CZ ' ' A' ' 58' ' ' TYR . 0.8 OUTLIER -71.84 -24.22 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.351 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.496 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 1.8 tm? -92.0 4.09 53.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -116.84 -111.47 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -82.68 -4.97 58.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.4 tp 32.12 90.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.356 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER 158.88 -35.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.7 m -72.39 -72.68 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 110.403 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.633 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 7.1 tt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.86 132.49 35.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.227 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.508 ' CE1' ' HB2' ' A' ' 38' ' ' ASN . 3.1 t80 -150.36 123.48 8.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 92.21 15.56 53.29 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 13' ' ' GLY . 0.5 OUTLIER -64.16 91.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.612 0.831 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.463 ' HB ' ' CG ' ' A' ' 19' ' ' ASP . 42.9 t -61.1 -60.75 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -105.83 29.23 6.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.216 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.452 ' HA ' ' CG ' ' A' ' 8' ' ' ASP . 1.1 m-20 48.6 61.21 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -118.72 -54.54 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.352 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -151.93 -57.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.402 1.064 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HE2' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -172.17 -171.73 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.545 ' CG2' ' NE ' ' A' ' 46' ' ' ARG . 8.4 p -87.52 113.63 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.43 ' ND2' ' HE2' ' A' ' 14' ' ' LYS . 15.8 p-10 -160.61 170.7 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.353 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 3.3 t -46.48 -33.59 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 m -50.67 -33.46 22.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.402 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.463 ' CG ' ' HB ' ' A' ' 9' ' ' VAL . 87.6 m-20 -96.92 24.39 6.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.389 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -59.94 -37.94 80.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.4 t -46.99 -43.3 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.13 -58.77 2.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -42.67 -47.37 5.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.47 -58.89 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.418 ' CB ' HG22 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -62.16 -37.47 85.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.402 ' HB3' ' O ' ' A' ' 23' ' ' LEU . 59.9 t80 -63.83 -34.52 78.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.062 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.49 ' CG2' ' CD1' ' A' ' 23' ' ' LEU . 38.9 t -83.27 -48.37 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -35.91 71.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HD3' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -164.21 -174.12 3.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.69 74.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.953 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.428 ' N ' ' HD3' ' A' ' 29' ' ' ARG . . . -122.99 -50.85 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.418 HG22 ' CB ' ' A' ' 25' ' ' ARG . 2.8 pp -59.87 160.68 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.2 p -117.07 125.71 51.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.408 1.068 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.44 ' CG2' HG13 ' A' ' 9' ' ' VAL . 22.4 pt -139.75 -179.77 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.488 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 2.3 p30 -85.79 40.62 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.403 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -38.47 -29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.8 m-20 -44.15 -59.09 2.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.508 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.7 p-10 -119.47 49.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.246 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -105.58 -49.96 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 43' ' ' GLU . 1.6 t70 -79.5 141.24 36.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp -139.6 13.6 2.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.412 ' CG ' ' OD1' ' A' ' 51' ' ' ASP . 12.2 m120 -141.32 14.9 2.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 2.3 mt-10 58.57 34.0 23.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 6.3 m-20 -114.26 -32.14 6.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 132.54 -44.48 1.2 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.545 ' NE ' ' CG2' ' A' ' 15' ' ' VAL . 9.2 mtp180 -167.17 -92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 0.798 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.453 ' CG2' HD21 ' A' ' 23' ' ' LEU . 34.1 m -142.84 102.25 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.16 -34.06 29.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.74 -32.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.962 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.5 m -88.09 -63.72 1.26 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' THR . 1.4 m-20 -36.99 -40.03 0.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -39.59 -61.27 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -37.17 -80.42 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -39.16 -50.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.521 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -51.66 -60.54 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.506 ' HA ' ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -69.33 -2.43 10.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.368 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -93.1 -53.72 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.707 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -73.3 -40.92 64.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 111.028 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.686 HG21 ' CE2' ' A' ' 58' ' ' TYR . 3.1 pt -63.68 -26.3 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 tp -40.52 -56.13 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.408 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 0.8 OUTLIER -175.86 35.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -125.36 -3.45 7.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.4 ' HA ' ' CE1' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -40.75 114.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 168.51 -34.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -137.23 -44.11 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 110.439 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.703 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 5.3 tt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.7 mttp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.432 HD23 ' N ' ' A' ' 5' ' ' LEU . 1.4 pt? -172.52 150.53 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 38' ' ' ASN . 21.4 t80 -150.26 96.5 2.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 101.65 55.64 0.88 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 14' ' ' LYS . 3.3 t0 -90.19 149.83 22.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.554 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 46.9 t -94.32 -56.29 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.456 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 1.7 p30 -109.5 26.75 10.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t0 50.05 42.71 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 109.248 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -99.91 -52.08 3.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.77 -49.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.382 1.051 . . . . 0.0 111.057 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -173.47 179.67 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.743 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.554 ' CG2' ' CG2' ' A' ' 9' ' ' VAL . 9.1 p -96.36 94.02 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.22 -170.27 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 15.1 t -51.35 -38.09 51.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.955 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.1 m -49.79 -43.81 48.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.398 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.456 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 97.5 m-20 -96.51 24.71 5.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -59.64 -40.48 87.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.1 t -41.81 -60.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . . . -61.06 -45.31 95.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -50.66 -60.53 2.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -40.42 -44.24 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -47.9 68.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.686 ' CE1' ' CZ ' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -59.43 -45.28 91.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.142 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.8 t -61.36 -56.89 14.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.87 -41.68 58.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -162.07 161.02 28.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 110.276 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.3 m -99.59 69.7 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.7 -37.22 0.68 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 13.0 tt -59.61 160.92 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.71 121.53 45.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 110.015 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.484 ' CG2' HG11 ' A' ' 9' ' ' VAL . 3.2 pt -146.48 165.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.456 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -86.37 59.9 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.487 ' O ' ' C ' ' A' ' 37' ' ' ASP . 5.3 t -61.17 -10.51 6.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.381 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.7 OUTLIER -34.18 -69.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.52 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -119.33 36.33 4.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.491 ' HA ' ' CA ' ' A' ' 7' ' ' GLY . . . -96.64 -18.04 19.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -115.68 104.02 11.27 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' CD1' ' OH ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -112.67 52.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 9.4 m120 -163.4 -30.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 1.8 tt0 86.91 35.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.444 ' OD1' ' CB ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -115.04 -30.97 6.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.247 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.53 ' CA ' ' NH2' ' A' ' 46' ' ' ARG . . . 154.96 -77.77 0.2 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.686 ' CZ ' ' CE1' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -153.99 -66.44 0.14 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 0.784 . . . . 0.0 110.352 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.475 ' CG2' ' HG ' ' A' ' 23' ' ' LEU . 18.3 m -146.67 71.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.118 . . . . 0.0 109.203 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 49' ' ' SER . 7.9 p30 -59.55 -40.62 87.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 166.41 -31.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 m -81.21 -33.64 32.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' LEU . 1.2 t0 -73.91 -43.73 57.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -38.77 -60.61 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -53.16 -72.61 0.51 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.146 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.433 HG23 ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -40.0 -42.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.527 0.781 . . . . 0.0 109.281 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.593 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 1.2 mm? -62.45 -61.54 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.493 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -62.91 -5.0 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.43 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -90.62 -49.61 6.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.64 ' CE2' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -90.35 -31.05 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.64 HG22 ' CE2' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -72.32 -20.17 19.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 2.3 tm? -93.96 1.63 56.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -118.5 -111.75 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.422 1.076 . . . . 0.0 109.211 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 mt-10 -77.83 -9.41 59.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.612 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER 30.91 90.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.369 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.612 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER 146.36 -20.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 66' ' ' LEU . 7.2 m -84.48 -45.14 12.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.128 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.597 ' HG ' ' CD2' ' A' ' 58' ' ' TYR . 5.4 tt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.508 ' CD2' ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -149.27 147.71 28.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.509 ' CD1' HD12 ' A' ' 66' ' ' LEU . 3.9 t80 -150.45 112.67 4.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.504 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 68.82 61.07 4.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.145 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.22 149.55 23.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.36 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.503 HG22 ' CB ' ' A' ' 15' ' ' VAL . 49.3 t -98.71 -59.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -101.7 21.48 14.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 50.03 50.41 18.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.36 -53.09 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.04 -52.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.568 1.168 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.04 169.21 1.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 0.749 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.504 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 12.4 p -83.23 94.99 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.482 ' CB ' HD13 ' A' ' 59' ' ' ILE . 1.5 p30 -134.65 -179.63 5.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -45.5 -27.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.944 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -64.95 -40.74 95.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 16' ' ' ASN . 98.7 m-20 -92.52 21.55 5.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . -59.65 -41.01 89.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' ALA . 41.7 t -39.86 -47.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . . . -80.13 -33.44 38.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.446 ' CD2' HG21 ' A' ' 47' ' ' VAL . 1.4 tp -59.44 -60.11 4.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -51.95 -32.79 34.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG2' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -78.68 -31.32 46.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.649 ' CD1' ' NE ' ' A' ' 46' ' ' ARG . 17.8 t80 -80.83 -28.79 36.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 t -77.94 -43.98 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.97 0.02 57.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 30' ' ' SER . 1.9 tpt180 74.59 154.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.469 ' CB ' ' HG2' ' A' ' 25' ' ' ARG . 0.6 OUTLIER 163.97 158.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.052 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.81 59.06 0.51 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 1.6 tt -115.23 153.27 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.55 126.4 44.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pt -140.36 176.7 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.371 1.044 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.65 67.01 2.34 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.483 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 5.1 t -68.15 -6.52 23.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.78 -75.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.504 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 2.8 p-10 -102.36 40.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.483 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -76.71 -90.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.503 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -79.22 163.01 25.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -134.22 47.63 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.453 ' CG ' ' C ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -165.11 31.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.37 1.044 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 46.95 46.39 15.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.282 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -114.24 -36.45 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 130.14 -63.3 0.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.649 ' NE ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -145.62 -94.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.603 0.825 . . . . 0.0 110.26 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.446 HG21 ' CD2' ' A' ' 23' ' ' LEU . 26.7 m -134.57 96.51 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.408 1.067 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.14 -35.44 28.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 168.41 -31.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.2 m -78.07 -37.99 45.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.474 ' HB3' ' CD1' ' A' ' 55' ' ' LEU . 2.2 m-20 -80.13 -50.34 10.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -38.65 -45.34 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.75 -58.29 14.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -44.22 93.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.797 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.586 ' HA ' ' CE2' ' A' ' 58' ' ' TYR . 0.5 OUTLIER -60.99 -59.23 5.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.584 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -59.65 -1.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.578 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -91.77 -53.47 4.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.683 ' CE1' ' CG2' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -91.67 -34.03 14.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.683 ' CG2' ' CE1' ' A' ' 58' ' ' TYR . 1.4 pp -58.58 -15.7 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.96 -56.27 8.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.489 ' O ' HG21 ' A' ' 63' ' ' ILE . 0.0 OUTLIER 177.28 -25.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -63.73 -39.73 95.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.508 ' O ' ' O ' ' A' ' 62' ' ' GLU . 1.4 tp 40.2 96.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t0 170.83 -31.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.2 m -76.79 53.06 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 110.44 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.659 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 mttt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.493 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -137.89 167.18 22.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -150.31 100.31 2.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.97 47.51 2.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 35' ' ' ASN . 2.8 t0 -81.73 125.77 31.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 0.774 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.475 ' CG2' HG21 ' A' ' 15' ' ' VAL . 47.8 t -77.64 -60.23 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.449 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 4.4 p30 -104.38 30.08 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.407 ' HA ' ' CG ' ' A' ' 8' ' ' ASP . 35.6 t70 48.16 42.48 17.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -98.2 -54.52 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -160.26 -45.18 0.02 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.45 1.094 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.39 -170.9 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.475 HG21 ' CG2' ' A' ' 9' ' ' VAL . 5.9 p -108.15 104.02 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.439 ' OD1' ' CB ' ' A' ' 18' ' ' THR . 5.7 p30 -154.02 -171.31 3.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 t -48.82 -23.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.955 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.439 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 45.5 m -67.55 -36.77 81.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.449 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.5 m-20 -111.16 22.16 15.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.88 -22.67 62.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.39 -59.71 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.462 ' HB2' ' CG1' ' A' ' 9' ' ' VAL . . . -67.68 -23.27 65.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' CD1' ' CG2' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -66.73 -54.32 24.09 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -50.83 -42.91 58.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -69.46 -26.23 64.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.548 ' CE2' HD11 ' A' ' 34' ' ' ILE . 25.1 t80 -83.88 -35.98 23.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 t -67.31 -43.79 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.361 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.22 -57.47 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.508 ' O ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -147.3 -82.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.319 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 2.2 p 158.02 51.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.975 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.53 -20.43 10.95 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 16.7 tt -71.23 168.68 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.94 122.81 45.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.548 HD11 ' CE2' ' A' ' 26' ' ' TYR . 11.4 pt -146.61 -179.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.574 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -80.88 43.34 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -38.72 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.412 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -40.77 -73.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 1.8 p-10 -109.86 44.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HB1' ' ND2' ' A' ' 35' ' ' ASN . . . -93.87 -61.31 1.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.47 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 8.1 t0 -64.19 155.6 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.258 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.451 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 36.7 mt -154.44 24.34 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 109.378 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.42 ' OD1' ' OD2' ' A' ' 44' ' ' ASP . 23.7 p-10 -173.86 37.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 47.84 43.2 17.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' NH2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -118.1 -35.83 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.47 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 129.3 -64.67 0.6 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.529 ' HD3' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -148.5 -55.91 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.76 . . . . 0.0 110.27 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.432 ' O ' ' NH1' ' A' ' 46' ' ' ARG . 3.6 t -156.92 107.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.48 ' ND2' HH22 ' A' ' 46' ' ' ARG . 0.3 OUTLIER -90.8 -49.18 6.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.8 p 179.24 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.5 m -84.12 -39.0 20.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 110.435 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' OD2' ' CG ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -67.61 -28.5 67.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -52.19 -45.69 65.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -63.13 -62.15 5.71 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.435 ' CG2' ' HG ' ' A' ' 66' ' ' LEU . 2.5 mm -42.52 -46.28 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.624 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 3.1 mm? -60.92 -61.49 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.494 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 3.8 tttt -63.34 -0.92 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.497 ' H ' ' C ' ' A' ' 55' ' ' LEU . 2.7 mtt180 -90.42 -53.21 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.689 ' CZ ' ' CG2' ' A' ' 59' ' ' ILE . 1.9 p90 -90.52 -27.81 18.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.689 ' CG2' ' CZ ' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -74.97 -0.75 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 61' ' ' LYS . 13.3 tp -70.47 -52.96 18.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -177.59 -33.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -72.14 3.98 4.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.4 OUTLIER -34.42 131.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' A' ' 65' ' ' THR . 7.4 m-20 162.18 45.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.525 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 2.0 m 85.23 86.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.491 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.58 HD13 ' CD2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.489 ' C ' ' CD2' ' A' ' 5' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.489 ' CD2' ' C ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -169.38 -179.48 3.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.407 ' HB3' ' OH ' ' A' ' 58' ' ' TYR . 2.6 t80 -150.61 110.94 4.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.689 ' H ' ' ND2' ' A' ' 38' ' ' ASN . . . 39.04 56.72 2.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.486 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 4.7 t0 -58.37 152.97 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.475 ' CG2' HG21 ' A' ' 15' ' ' VAL . 88.2 t -91.19 -60.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.466 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 6.4 p30 -106.76 20.31 19.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 t70 50.8 54.46 11.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.07 -33.93 5.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.439 ' N ' ' OD2' ' A' ' 8' ' ' ASP . . . -172.37 -60.57 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' O ' ' OD2' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -156.5 -171.15 3.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.475 HG21 ' CG2' ' A' ' 9' ' ' VAL . 2.6 p -112.01 96.27 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -148.34 -172.28 4.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.421 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 11.3 t -45.37 -36.69 4.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 m -50.64 -40.39 53.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.466 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 83.2 m-20 -99.85 28.78 4.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.372 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -59.74 -37.91 80.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 20' ' ' ALA . 65.2 t -40.03 -60.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.472 ' HB3' ' CG1' ' A' ' 9' ' ' VAL . . . -66.15 -36.11 82.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.556 ' CD1' ' CG2' ' A' ' 47' ' ' VAL . 0.5 OUTLIER -55.62 -60.36 3.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.66 -41.88 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.2 -41.88 69.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 110.254 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.415 ' CD2' ' HG3' ' A' ' 46' ' ' ARG . 26.5 t80 -65.42 -45.96 81.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.39 -57.34 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 tt -48.42 -39.89 24.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HD3' ' N ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -176.34 -179.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.406 ' N ' ' HD3' ' A' ' 29' ' ' ARG . 89.5 p -107.9 115.29 29.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.051 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -160.07 -50.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.542 ' CD1' ' CG2' ' A' ' 34' ' ' ILE . 1.3 pp -59.9 148.56 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.295 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.1 p -89.77 121.14 31.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.542 ' CG2' ' CD1' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -149.92 166.3 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -95.08 68.52 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.482 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 5.7 t -81.2 17.14 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 110.428 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -73.0 -45.97 54.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.689 ' ND2' ' H ' ' A' ' 7' ' ' GLY . 1.7 p-10 -120.45 16.46 12.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -83.88 -18.54 37.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.504 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 1.5 t70 -113.28 141.38 47.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.259 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -140.97 20.68 2.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.416 ' OD1' ' OD1' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -151.17 21.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 55.58 44.87 25.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.29 -32.36 6.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.48 -49.53 0.84 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.491 ' HD3' ' CD1' ' A' ' 34' ' ' ILE . 31.4 mmm-85 -145.43 -92.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 0.762 . . . . 0.0 110.323 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.556 ' CG2' ' CD1' ' A' ' 23' ' ' LEU . 5.7 m -152.73 95.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -71.48 -47.03 58.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.39 -36.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.4 m -78.4 -34.69 47.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 42' ' ' ASN . 14.9 t70 -89.76 -21.57 22.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.514 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.43 -58.65 7.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.17 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -52.39 -62.28 5.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 111.045 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.465 ' CG2' HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -46.57 -40.05 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.575 0.809 . . . . 0.0 109.264 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.567 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -65.99 -57.21 8.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.556 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -69.2 0.54 4.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -92.75 -53.91 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.684 ' CE2' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -80.72 -36.68 31.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 111.056 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.684 HG22 ' CE2' ' A' ' 58' ' ' TYR . 1.3 pp -64.72 -11.21 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.91 -42.25 97.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.482 ' C ' ' H ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -161.58 -36.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.617 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -63.2 -1.21 0.95 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.627 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -21.37 129.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.243 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.627 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 13.6 t0 92.3 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 62' ' ' GLU . 99.1 m -56.54 -67.17 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.677 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 4.8 tt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.4 mtm . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.452 0.167 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.69 139.09 4.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.989 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.2 m -147.76 139.06 23.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.363 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.6 96.17 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.24 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -167.49 166.97 14.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.575 ' CE1' HD22 ' A' ' 41' ' ' LEU . 54.4 t80 -148.5 101.86 3.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 55.97 45.88 85.64 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.428 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 2.1 t0 -59.09 151.49 22.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.401 0.706 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.457 HG23 ' CB ' ' A' ' 19' ' ' ASP . 14.1 t -96.86 -56.99 4.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -110.09 23.7 13.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.06 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 51.12 46.7 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.84 -46.3 4.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -163.46 -51.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' CG ' ' OD1' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -172.8 -179.76 2.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.469 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 2.7 p -99.77 106.26 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.436 ' OD1' ' CG ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -151.54 -169.52 3.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t -49.82 -22.44 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.3 m -67.74 -47.66 68.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.457 ' CB ' HG23 ' A' ' 9' ' ' VAL . 98.1 m-20 -92.36 26.13 2.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.437 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -64.39 -37.88 89.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -40.2 -53.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.242 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 26' ' ' TYR . . . -73.6 -31.89 63.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.46 HD11 ' CG2' ' A' ' 47' ' ' VAL . 2.8 tt -53.78 -60.18 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.444 ' O ' ' CD1' ' A' ' 28' ' ' LEU . 64.1 tttt -51.71 -43.25 62.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -26.52 66.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.577 ' CE1' ' HD2' ' A' ' 46' ' ' ARG . 37.1 t80 -82.8 -62.39 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.441 ' CG2' HD22 ' A' ' 23' ' ' LEU . 61.7 t -44.93 -35.07 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.444 ' CD1' ' O ' ' A' ' 24' ' ' LYS . 3.6 mp -69.17 -52.81 24.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -157.47 165.67 35.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.353 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -97.91 64.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.046 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.86 -49.27 1.1 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 pt -59.93 166.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 0.73 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.43 119.87 37.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.6 pt -139.33 163.63 25.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.331 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.43 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 2.1 m-80 -69.99 61.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.461 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -55.78 -17.47 6.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.371 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' THR . 2.8 m-20 -39.37 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.515 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 1.9 p-10 -112.39 38.94 2.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.461 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -78.08 -55.47 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.427 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 5.4 t70 -86.81 145.33 26.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.575 HD22 ' CE1' ' A' ' 6' ' ' TYR . 4.9 mp -145.96 22.28 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.406 ' CG ' ' OD1' ' A' ' 51' ' ' ASP . 1.2 m120 -154.79 24.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 52.32 36.9 20.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.42 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 27.7 m-20 -114.32 -33.01 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.427 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 121.11 -52.27 0.75 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.158 . . . . 0.0 111.047 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.577 ' HD2' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -149.94 -93.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 110.271 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.476 HG21 ' CD1' ' A' ' 52' ' ' LEU . 16.6 m -141.65 79.57 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 49' ' ' SER . 9.9 p30 -61.11 -38.75 87.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER 165.42 -30.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.05 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.4 m -78.47 -40.4 35.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -79.95 -43.11 22.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.476 ' CD1' HG21 ' A' ' 47' ' ' VAL . 1.5 tt -39.16 -61.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -38.22 -74.22 0.12 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -43.57 -49.58 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 0.722 . . . . 0.0 109.246 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.6 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -53.65 -61.5 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.506 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 11.4 ptmt -61.9 -8.24 4.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -91.47 -45.54 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.678 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -90.17 -39.03 13.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.624 HG23 ' CE2' ' A' ' 58' ' ' TYR . 1.3 pp -59.49 -16.42 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.0 tp -54.54 -34.6 62.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -177.14 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.8 mt-10 -51.87 -18.37 1.29 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.583 1.177 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.503 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -32.83 100.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.4 t0 167.32 -31.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.404 HG21 ' N ' ' A' ' 66' ' ' LEU . 4.6 t -134.15 -43.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.41 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.583 HD11 ' CE2' ' A' ' 58' ' ' TYR . 1.0 OUTLIER 66.64 111.74 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.03 60.64 5.52 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 69' ' ' LYS . 55.6 p90 -34.96 -45.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.553 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 4.0 tptp 56.89 98.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.572 1.17 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -86.66 121.23 28.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 mtp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.5 0.191 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.33 170.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -117.33 157.55 25.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.459 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.31 93.59 1.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -162.84 136.63 6.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.371 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 38' ' ' ASN . 16.4 t80 -149.63 107.5 3.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.513 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 84.36 59.46 2.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.552 1.157 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 13' ' ' GLY . 0.8 OUTLIER -98.19 152.57 19.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.44 0.73 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.467 ' CG2' ' HB2' ' A' ' 22' ' ' ALA . 0.3 OUTLIER -96.11 -47.04 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.464 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 0.8 OUTLIER -111.89 16.6 20.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.5 t70 49.11 60.45 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.182 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.478 ' CG ' ' N ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -120.1 -49.46 2.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.506 ' N ' ' OD2' ' A' ' 8' ' ' ASP . . . -150.55 -55.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' CE ' HD11 ' A' ' 59' ' ' ILE . 0.0 OUTLIER 179.55 159.01 0.69 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.421 0.718 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 7' ' ' GLY . 14.1 p -75.79 111.91 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -145.06 -170.8 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.385 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 t -49.91 -22.28 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.4 m -77.13 -37.03 54.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.453 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' OD2' ' HB ' ' A' ' 9' ' ' VAL . 6.1 m-20 -83.99 7.55 18.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.377 1.048 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.07 -20.78 62.99 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.0 t -68.28 -58.89 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 109.36 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.467 ' HB2' ' CG2' ' A' ' 9' ' ' VAL . . . -63.44 -33.67 76.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.5 ' CD1' HG21 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -68.38 -56.97 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.249 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.16 -26.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 29' ' ' ARG . 1.6 mpt_? -88.31 -38.44 15.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.536 ' CD2' ' HD2' ' A' ' 46' ' ' ARG . 33.1 t80 -70.62 -22.38 62.54 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.406 ' CG2' ' HG ' ' A' ' 23' ' ' LEU . 24.6 t -90.38 -42.44 14.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.64 -48.86 15.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.602 1.189 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ARG . 3.4 tmt_? -83.48 160.07 21.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.53 -74.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.04 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.83 86.45 0.12 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CG2' ' HB2' ' A' ' 26' ' ' TYR . 1.7 tt -59.51 153.35 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 m -60.78 116.11 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.03 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.494 ' CD1' ' NH1' ' A' ' 46' ' ' ARG . 6.0 pt -153.25 -179.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.408 1.068 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.44 56.14 0.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.458 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 5.7 t -59.66 -14.42 13.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' THR . 3.5 m-20 -39.24 -63.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -120.78 45.96 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.462 ' HA ' ' CA ' ' A' ' 7' ' ' GLY . . . -107.34 -56.55 2.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -72.55 121.09 19.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.571 HD22 ' CE2' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -126.54 6.99 6.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.405 ' OD1' ' OD1' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -138.66 14.82 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 53.86 36.15 23.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.41 ' OD2' ' OD1' ' A' ' 51' ' ' ASP . 2.2 p30 -112.88 -35.33 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' C ' ' CG ' ' A' ' 46' ' ' ARG . . . 147.78 -72.56 0.31 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.536 ' HD2' ' CD2' ' A' ' 26' ' ' TYR . 2.2 mtp85 -154.39 -70.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.5 HG21 ' CD1' ' A' ' 23' ' ' LEU . 16.5 m -139.25 71.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.9 OUTLIER -59.15 -40.63 86.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 1.4 m 164.3 -31.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 m -85.89 -26.03 25.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.442 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -86.08 -40.24 15.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -38.53 -46.2 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -59.28 -80.21 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.464 HG23 ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -40.16 -39.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 109.379 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.532 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 0.7 OUTLIER -60.75 -60.38 3.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.522 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -68.89 -5.48 21.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -91.86 -55.92 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.675 ' CE2' ' CD1' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -71.06 -31.9 68.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.623 HG23 ' CD2' ' A' ' 58' ' ' TYR . 1.5 pp -76.3 -1.87 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 tp -69.55 -33.2 72.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.432 ' NZ ' ' OE1' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -175.81 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 63' ' ' ILE . 4.2 mt-10 -53.95 -17.14 2.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.7 OUTLIER -34.55 109.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER 153.79 -23.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.19 -48.91 0.55 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.675 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 7.1 tt 67.42 98.01 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 62.63 5.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 110.957 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.49 ' N ' HD22 ' A' ' 66' ' ' LEU . 17.2 p90 -40.74 157.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -86.59 137.61 32.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.376 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -71.4 101.38 2.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 ptt? . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.485 0.183 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.52 132.8 35.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.965 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.3 p -126.93 138.69 53.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.457 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.03 104.69 4.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 1.0 OUTLIER -170.45 153.26 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.546 ' CZ ' HD22 ' A' ' 41' ' ' LEU . 50.1 t80 -150.12 101.98 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.52 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 95.92 52.42 1.65 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.093 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -98.43 150.22 21.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.606 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 66.2 t -100.17 -59.74 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.064 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -104.04 22.04 15.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.087 . . . . 0.0 109.391 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.419 ' OD1' ' CD1' ' A' ' 5' ' ' LEU . 9.6 t0 49.9 45.94 24.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.6 -45.55 5.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.8 -52.92 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' CD ' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -173.76 170.45 3.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.249 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.606 ' CG2' ' CG2' ' A' ' 9' ' ' VAL . 13.7 p -91.26 110.82 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.459 ' ND2' ' CD ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -152.96 -172.47 4.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -45.52 -25.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.41 ' N ' ' C ' ' A' ' 16' ' ' ASN . 75.8 m -69.06 -43.61 74.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.451 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' ASN . 87.4 m-20 -92.23 22.19 4.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.72 84.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.9 t -46.82 -60.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 25' ' ' ARG . . . -65.89 -56.44 11.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.485 HD11 ' CG2' ' A' ' 47' ' ' VAL . 0.1 OUTLIER -40.74 -57.91 1.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -44.47 20.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.505 ' O ' ' CD ' ' A' ' 29' ' ' ARG . 5.3 mtt180 -69.3 -28.1 65.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.708 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 5.0 t80 -80.79 -38.55 28.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -78.11 -36.6 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 tt -75.82 -40.92 54.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -150.7 -170.44 3.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.155 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.3 p -132.09 58.42 1.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -100.91 -56.38 0.9 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.467 ' CD1' HG21 ' A' ' 34' ' ' ILE . 2.5 pp -59.74 178.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.785 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -136.83 120.99 17.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.467 HG21 ' CD1' ' A' ' 32' ' ' ILE . 5.4 pt -129.99 168.99 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.428 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 2.2 m-80 -69.87 61.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.376 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -58.01 -24.87 60.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.7 OUTLIER -37.35 -68.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.46 ' CG ' ' O ' ' A' ' 38' ' ' ASN . 9.7 t30 -116.54 66.52 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -116.49 -67.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.512 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 47.4 t0 -59.64 149.94 28.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.546 HD22 ' CZ ' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -148.45 -45.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.426 ' CG ' ' OD1' ' A' ' 51' ' ' ASP . 2.8 m120 -85.11 3.98 36.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 75.01 36.21 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 110.362 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' A' ' 51' ' ' ASP . 5.2 p-10 -115.49 -33.8 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.59 -66.35 0.5 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.708 ' CZ ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -145.0 -89.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 0.759 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.485 ' CG2' HD11 ' A' ' 23' ' ' LEU . 3.6 m -135.0 72.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -59.5 -40.83 88.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 166.31 -30.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.9 m -82.87 -36.86 25.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.424 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.426 ' OD1' ' CG ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -74.72 -42.45 58.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.494 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.2 OUTLIER -49.31 -44.46 44.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.82 -26.35 17.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -90.19 -37.49 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.58 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 1.6 mm? -61.34 -61.26 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.513 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.95 -6.31 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 0.0 109.345 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.428 ' H ' ' C ' ' A' ' 55' ' ' LEU . 3.9 ttt180 -89.49 -49.54 6.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.241 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.671 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -91.39 -42.71 10.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.641 ' N ' ' CD1' ' A' ' 58' ' ' TYR . 1.4 pp -50.25 -22.25 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -45.79 -60.33 2.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -179.36 38.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -131.7 5.85 4.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.561 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -41.01 156.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 1.6 t0 151.51 -63.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.464 ' O ' ' O ' ' A' ' 66' ' ' LEU . 1.1 t -134.73 5.76 3.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.443 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.514 HD13 ' CD2' ' A' ' 58' ' ' TYR . 0.2 OUTLIER 44.84 98.07 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.401 1.063 . . . . 0.0 109.254 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.04 63.07 6.0 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.448 ' C ' ' O ' ' A' ' 67' ' ' PRO . 8.2 p90 -34.01 -47.56 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.432 ' N ' ' CD2' ' A' ' 68' ' ' TYR . 14.6 tttp 70.92 -75.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 176.76 162.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.4 mtt . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.497 0.189 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.04 54.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.051 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 t -171.0 165.0 7.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.397 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -126.74 123.14 36.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.464 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 1.2 pt? -174.09 147.84 1.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.607 ' CE1' ' OD1' ' A' ' 38' ' ' ASN . 45.7 t80 -150.35 116.89 5.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.53 ' O ' ' CG1' ' A' ' 15' ' ' VAL . . . 75.66 59.27 3.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -90.28 149.98 22.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.622 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 74.7 t -99.92 -59.61 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.444 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 4.5 p30 -105.43 27.41 8.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 50.04 45.84 25.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' HB3' 'CA ' ' A' ' 72' ' ' ' CA' . 4.8 t70 -100.58 -54.64 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -159.67 -42.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.28 -172.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.622 ' CG2' ' CG2' ' A' ' 9' ' ' VAL . 11.1 p -111.39 103.36 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.488 ' OD1' ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -145.35 -160.51 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.218 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.9 t -60.11 -15.13 20.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 m -75.34 -42.12 55.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.467 1.104 . . . . 0.0 110.408 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.444 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.2 m-20 -101.8 26.3 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.31 -23.86 65.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.2 t -55.52 -60.45 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.547 1.154 . . . . 0.0 109.221 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.28 -27.34 66.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.476 ' CD2' ' HB2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -60.69 -60.22 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -49.13 -40.07 31.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -29.81 70.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.24 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.602 ' CD1' ' NE ' ' A' ' 46' ' ' ARG . 1.8 t80 -78.89 -50.18 11.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 111.07 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.9 t -50.66 -48.94 26.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.361 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -39.71 81.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.395 1.059 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.434 ' C ' ' CD ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 173.63 172.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.1 m -86.79 108.05 18.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.82 -66.13 0.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -73.46 177.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.7 p -115.03 119.97 38.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.033 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.502 ' CD1' ' CD2' ' A' ' 26' ' ' TYR . 6.7 pt -138.08 174.22 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -93.9 49.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.415 1.072 . . . . 0.0 109.246 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.581 ' HB ' ' CE2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -44.9 -25.18 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.37 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.86 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.607 ' OD1' ' CE1' ' A' ' 6' ' ' TYR . 6.6 t-20 -63.84 -25.08 68.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.406 ' N ' ' HA2' ' A' ' 7' ' ' GLY . . . -64.41 -55.35 21.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.436 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 11.3 t0 -64.75 135.72 56.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.582 HD23 ' CE2' ' A' ' 6' ' ' TYR . 34.4 mt -143.59 14.74 1.78 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 0.3 OUTLIER -152.81 20.79 0.6 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 38.1 mt-10 61.82 49.01 5.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.428 ' CB ' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -124.34 -37.38 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.436 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 135.49 -60.56 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.418 1.074 . . . . 0.0 111.03 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.602 ' NE ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -140.51 -73.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 0.781 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.407 ' CG1' ' C ' ' A' ' 46' ' ' ARG . 4.8 m -153.52 146.9 14.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.428 ' OD1' ' CB ' ' A' ' 44' ' ' ASP . 33.5 m120 -120.43 -61.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.426 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 14.5 p -159.23 -40.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.115 . . . . 0.0 110.08 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 m -85.31 -27.83 25.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.449 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.421 ' OD2' ' OD1' ' A' ' 42' ' ' ASN . 0.9 OUTLIER -70.9 -60.4 2.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.337 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.426 ' CD2' ' HA ' ' A' ' 49' ' ' SER . 3.1 pp -41.93 -46.42 4.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -55.0 -75.6 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -45.56 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.562 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -58.06 -55.81 30.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.511 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -64.0 -6.53 6.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.02 -45.35 8.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.697 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -88.72 -30.79 18.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.658 ' CG2' ' CZ ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -74.59 -1.78 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.58 -50.14 59.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.243 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' CD ' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER 178.89 -32.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.226 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -67.45 -1.53 4.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.09 . . . . 0.0 110.243 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.466 ' C ' ' O ' ' A' ' 62' ' ' GLU . 6.8 tt -35.02 135.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 65' ' ' THR . 6.2 m-20 176.65 64.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 0.6 OUTLIER 83.52 7.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.437 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.568 HD13 ' CE2' ' A' ' 58' ' ' TYR . 3.8 tt 58.45 110.94 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -74.98 57.81 4.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.465 ' CA ' HD23 ' A' ' 66' ' ' LEU . 28.6 p90 -37.54 143.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -132.03 126.64 34.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -97.96 141.85 30.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.251 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ' CA' . . . . . 0.422 'CA ' ' HB3' ' A' ' 12' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.8 mtt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.444 0.164 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -140.98 165.47 27.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 t -143.62 127.46 17.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -154.83 86.8 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.546 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -174.72 149.52 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -148.43 136.79 21.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 58.78 49.44 77.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.135 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.454 ' O ' ' CG ' ' A' ' 35' ' ' ASN . 1.8 t0 -85.15 123.4 30.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.468 ' CG2' HG23 ' A' ' 15' ' ' VAL . 3.3 t -76.56 -61.2 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -103.13 29.3 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.412 ' HA ' ' CG ' ' A' ' 8' ' ' ASP . 31.3 m-20 48.04 42.5 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -96.42 -52.21 4.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -163.69 -47.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.564 1.165 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.447 ' CD ' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -175.91 176.98 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 0.778 . . . . 0.0 109.346 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.468 HG23 ' CG2' ' A' ' 9' ' ' VAL . 7.2 p -94.48 108.06 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.447 ' ND2' ' CD ' ' A' ' 14' ' ' LYS . 1.6 p30 -148.19 -172.27 4.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.8 t -50.12 -22.24 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.402 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 99.1 m -70.23 -44.58 68.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 14' ' ' LYS . 89.4 m-20 -96.6 24.63 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 21' ' ' VAL . . . -65.23 -41.48 94.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' ALA . 2.8 t -39.62 -61.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.03 -41.38 99.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.488 ' HA ' ' CZ ' ' A' ' 46' ' ' ARG . 2.1 tt -50.39 -60.28 3.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.374 1.046 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -42.15 -47.37 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -41.33 97.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.378 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.441 ' CD2' ' HD3' ' A' ' 46' ' ' ARG . 19.7 t80 -58.28 -54.22 49.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.6 t -60.41 -45.77 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.09 -47.27 78.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.9 -176.37 3.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.246 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.45 81.3 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.06 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.94 -65.29 0.35 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.49 ' CD1' HG22 ' A' ' 34' ' ' ILE . 2.7 pp -59.37 172.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 0.793 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.76 141.31 51.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.49 HG22 ' CD1' ' A' ' 32' ' ' ILE . 1.5 pt -150.54 178.39 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -81.38 43.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.436 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -39.38 -29.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.441 ' N ' ' C ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -43.38 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -100.4 42.15 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.436 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -74.66 -97.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -77.83 -175.65 4.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -128.68 -47.21 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 5.2 m120 -61.52 -16.94 52.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 6.7 tt0 80.58 49.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.4 -32.82 5.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.06 -66.99 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.488 ' CZ ' ' HA ' ' A' ' 23' ' ' LEU . 6.9 mtp180 -152.92 -85.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 0.0 110.356 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.463 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 15.4 m -135.79 75.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 49' ' ' SER . 15.2 p30 -60.24 -31.29 70.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 158.75 -26.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.577 1.173 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.0 m -80.67 -35.62 33.5 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 52' ' ' LEU . 4.3 m-20 -89.84 -24.61 21.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -40.33 -60.67 1.04 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -62.34 -49.32 75.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.457 ' CD1' ' HB2' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -51.4 -41.58 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.273 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.514 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.2 mm? -65.28 -61.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.428 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -61.98 -7.83 4.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.3 OUTLIER -89.51 -58.31 2.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.66 ' CD2' HG23 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -74.85 -24.19 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.66 HG23 ' CD2' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -90.14 -8.29 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.462 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -56.76 -33.62 66.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.462 ' CD ' ' HB3' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -177.41 -35.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -60.98 -7.9 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.556 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -27.82 109.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 109.224 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.423 ' N ' HD12 ' A' ' 63' ' ' ILE . 0.1 OUTLIER 161.42 -27.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.429 ' C ' ' HD3' ' A' ' 67' ' ' PRO . 9.6 t -162.12 133.99 5.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.586 ' HG ' ' CD2' ' A' ' 58' ' ' TYR . 0.2 OUTLIER -125.45 71.12 64.85 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.429 ' HD3' ' C ' ' A' ' 65' ' ' THR . 18.4 Cg_endo -74.99 -28.96 8.73 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.457 ' HB2' ' CD1' ' A' ' 54' ' ' ILE . 8.5 m-85 -36.34 127.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.15 118.94 19.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.25 91.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.234 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 mtt . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.531 0.205 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.54 91.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.054 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.4 t -164.39 131.21 3.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -120.68 90.17 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mp -118.77 148.14 43.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.565 ' CE2' HD12 ' A' ' 66' ' ' LEU . 62.0 t80 -116.96 96.54 5.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.502 ' HA3' ' C ' ' A' ' 38' ' ' ASN . . . 30.04 55.74 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.515 ' CB ' ' HA ' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -56.39 150.97 13.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 109.234 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.519 ' CG1' ' CB ' ' A' ' 22' ' ' ALA . 2.0 t -79.43 -59.51 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.403 ' OD1' ' OD2' ' A' ' 19' ' ' ASP . 6.0 p30 -105.52 17.64 23.53 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.515 ' HA ' ' CB ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER 48.64 54.37 10.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.51 ' CG ' ' N ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -120.69 -50.49 2.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.51 ' N ' ' CG ' ' A' ' 12' ' ' ASP . . . -138.26 -62.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.43 164.26 3.11 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.476 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 7.1 p -80.77 90.96 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.0 p-10 -147.0 -174.25 4.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 t -46.62 -39.38 11.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -54.01 -25.37 20.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' OD2' ' OD1' ' A' ' 10' ' ' ASN . 1.4 m-20 -110.48 21.75 16.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 24' ' ' LYS . . . -59.93 -20.52 57.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.13 -59.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.223 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.519 ' CB ' ' CG1' ' A' ' 9' ' ' VAL . . . -69.43 -50.88 41.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.467 HD13 ' CG2' ' A' ' 27' ' ' VAL . 3.8 tp -47.58 -56.46 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 13.8 ttpt -43.8 -46.9 7.97 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.478 1.111 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -34.78 78.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.658 ' CE1' ' NE ' ' A' ' 46' ' ' ARG . 8.3 t80 -71.26 -42.67 68.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.467 ' CG2' HD13 ' A' ' 23' ' ' LEU . 47.0 t -67.38 -38.52 80.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.0 mt -65.59 -40.54 92.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -165.43 161.14 18.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.281 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.68 73.23 6.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.068 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.18 -54.82 0.23 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.508 ' CD1' ' CG2' ' A' ' 34' ' ' ILE . 0.0 OUTLIER -60.1 154.67 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.68 126.97 53.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.071 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.517 HG12 ' CE2' ' A' ' 26' ' ' TYR . 9.1 pt -139.99 169.61 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.227 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 13.1 m-20 -87.33 47.37 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.481 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 14.8 t -62.82 -8.65 7.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.24 -45.32 93.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.502 ' C ' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -121.1 34.22 5.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -104.66 -73.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 43' ' ' GLU . 0.1 OUTLIER -68.53 126.74 30.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.18 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.7 mp -124.53 15.64 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.387 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -124.77 0.39 8.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 2.8 tt0 68.96 46.29 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.32 -36.84 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.437 ' HA3' ' NE ' ' A' ' 46' ' ' ARG . . . 148.29 -72.62 0.3 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.658 ' NE ' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -146.14 -63.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.773 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.465 HG12 ' CD2' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -162.97 92.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -79.53 -46.98 16.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.169 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 81.9 p 179.43 -36.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.952 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 m -67.71 -46.76 71.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.5 ' HB3' ' CD1' ' A' ' 55' ' ' LEU . 1.2 m-20 -65.65 -46.42 79.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.425 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -44.3 -59.76 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.63 -75.17 0.14 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -43.21 -47.06 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.56 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -52.4 -60.2 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.521 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 10.1 tttt -57.74 -10.48 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.431 ' N ' ' C ' ' A' ' 55' ' ' LEU . 0.6 OUTLIER -90.04 -46.48 8.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.676 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -90.17 -39.67 12.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.596 HG21 ' CE2' ' A' ' 58' ' ' TYR . 1.3 pp -59.85 -21.85 22.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.407 1.067 . . . . 0.0 109.24 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -49.26 -54.52 16.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -174.4 34.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.9 mt-10 -121.61 -6.74 9.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.256 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.502 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 1.9 tp -40.19 116.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 5.9 m-20 156.35 -25.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.02 -46.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.516 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.652 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 1.0 OUTLIER 67.01 106.62 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -74.97 62.68 5.88 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.491 1.785 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.439 ' C ' ' O ' ' A' ' 67' ' ' PRO . 18.2 p90 -34.48 131.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.32 137.07 48.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -110.11 101.74 10.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.508 0.194 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -179.34 149.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 t -156.31 117.99 3.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 110.386 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.81 83.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 5' ' ' LEU . 2.3 pt? -167.17 138.0 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.565 ' CE1' HD21 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -136.34 128.29 29.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.505 ' O ' ' CG1' ' A' ' 15' ' ' VAL . . . 64.2 57.15 14.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.095 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.419 ' OD2' ' CD1' ' A' ' 5' ' ' LEU . 3.8 t0 -91.86 145.54 24.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 0.72 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.45 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 1.4 t -94.33 -56.37 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.418 ' N ' HG13 ' A' ' 9' ' ' VAL . 1.4 p30 -102.2 17.6 22.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 49.35 48.43 21.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.1 -47.39 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.73 -57.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.399 1.062 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.79 160.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.505 ' CG1' ' O ' ' A' ' 7' ' ' GLY . 10.1 p -77.72 112.97 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 19' ' ' ASP . 7.3 p-10 -151.62 -174.0 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.369 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -48.45 -23.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.7 m -73.28 -31.56 64.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.386 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 16' ' ' ASN . 0.6 OUTLIER -102.04 16.95 24.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . -59.43 -41.18 88.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' ALA . 95.7 t -39.74 -60.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.476 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . . . -67.89 -29.86 69.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.472 ' CD2' HG21 ' A' ' 47' ' ' VAL . 1.6 tp -58.57 -60.25 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -45.74 -45.14 14.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -62.87 -34.39 77.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.651 ' CD1' ' NE ' ' A' ' 46' ' ' ARG . 10.9 t80 -80.05 -32.29 39.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.412 ' N ' ' O ' ' A' ' 23' ' ' LEU . 21.8 t -71.47 -49.73 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.96 -41.89 64.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.568 1.168 . . . . 0.0 109.345 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.86 172.25 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.75 95.13 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.032 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.64 -44.1 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 19.3 tt -59.52 163.72 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.527 0.781 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.74 124.93 53.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pt -150.01 158.28 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.481 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -81.73 55.59 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 t -68.29 -8.04 36.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.02 -59.07 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.365 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 7' ' ' GLY . 3.2 p-10 -115.96 63.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.471 ' HA ' ' CA ' ' A' ' 7' ' ' GLY . . . -122.79 -84.82 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.23 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 5.3 t70 -41.42 133.53 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.565 HD21 ' CE1' ' A' ' 6' ' ' TYR . 0.8 OUTLIER -139.26 13.82 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.265 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.464 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 0.3 OUTLIER -143.96 15.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 34.2 mt-10 62.78 50.49 3.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.426 ' OD2' ' HB2' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -125.58 -36.51 2.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.448 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 127.8 -58.04 0.7 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.651 ' NE ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -145.48 -88.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 0.748 . . . . 0.0 110.314 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.485 HG12 ' CD1' ' A' ' 55' ' ' LEU . 27.4 m -139.11 102.22 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.96 -39.83 33.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.61 -36.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -81.48 -60.72 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.38 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.48 ' HB3' ' CD1' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -43.65 -53.91 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -39.54 -47.45 1.9 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.71 -53.14 47.55 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.573 HG22 ' CD2' ' A' ' 68' ' ' TYR . 10.9 mm -58.33 -44.98 89.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 0.732 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.621 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 1.1 mp -56.96 -61.49 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.488 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.6 OUTLIER -59.87 -8.4 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.428 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -91.42 -50.79 5.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.377 1.048 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.658 ' CZ ' ' CG2' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -86.75 -25.51 24.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.658 ' CG2' ' CZ ' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -81.42 -14.77 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.411 ' O ' ' HB3' ' A' ' 61' ' ' LYS . 5.4 tp -49.99 -39.72 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.424 ' HG2' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -179.28 -34.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.442 1.089 . . . . 0.0 109.363 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.653 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.3 tt0 -55.46 -13.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.345 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.653 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -16.0 110.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 65' ' ' THR . 6.9 p-10 -176.81 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.429 ' C ' ' HD3' ' A' ' 67' ' ' PRO . 15.4 t -170.32 157.37 6.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 66' ' ' LEU . 6.7 tt -126.26 70.49 69.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.429 ' HD3' ' C ' ' A' ' 65' ' ' THR . 18.1 Cg_endo -75.02 -25.05 12.19 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.444 1.76 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.573 ' CD2' HG22 ' A' ' 54' ' ' ILE . 42.5 m-85 -39.08 137.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.19 142.07 14.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.229 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.6 p30 177.46 164.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.431 1.082 . . . . 0.0 111.034 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 mtt . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.544 0.211 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.94 108.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.419 1.074 . . . . 0.0 110.017 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.513 ' O ' ' CG2' ' A' ' 3' ' ' THR . 1.2 m -165.38 65.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.05 106.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -174.23 130.58 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.592 ' CE1' ' OD1' ' A' ' 38' ' ' ASN . 28.3 t80 -139.45 110.58 6.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.392 1.058 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 83.79 48.2 5.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 13' ' ' GLY . 2.9 t0 -86.33 121.14 28.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 0.726 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.472 HG22 ' CG2' ' A' ' 15' ' ' VAL . 4.8 t -73.44 -61.23 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 5.6 p30 -103.56 30.44 5.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.601 1.188 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.441 ' HA ' ' CG ' ' A' ' 8' ' ' ASP . 2.8 m-20 47.62 46.58 17.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -101.44 -54.89 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.461 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -160.73 -47.1 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.43 -176.84 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.472 ' CG2' HG22 ' A' ' 9' ' ' VAL . 7.3 p -104.58 102.98 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -146.82 -163.02 1.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.8 t -58.0 -17.32 16.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.7 m -72.22 -48.63 41.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.446 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.5 m-20 -93.56 23.12 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.416 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -59.51 -36.66 76.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.1 m -45.76 -58.59 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.464 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . . . -69.63 -22.36 63.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.471 HD22 ' CG2' ' A' ' 47' ' ' VAL . 1.5 tp -66.77 -59.42 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.37 -43.29 16.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -32.37 72.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 3.7 t80 -85.97 -33.63 21.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.88 -46.09 94.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -51.47 61.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -155.49 148.42 24.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.4 t -81.92 70.67 8.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.976 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.04 -37.5 1.03 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 15.1 tt -59.84 163.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 0.789 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.1 119.21 38.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.961 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.463 ' CG2' HG13 ' A' ' 9' ' ' VAL . 4.2 pt -151.03 171.38 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.176 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.556 ' C ' ' ND2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -83.87 41.54 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.466 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 1.2 t -38.3 -29.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 110.426 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 35' ' ' ASN . 2.6 m-20 -56.74 -67.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.592 ' OD1' ' CE1' ' A' ' 6' ' ' TYR . 8.0 t30 -75.39 -3.66 34.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -85.31 -66.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 46.5 t0 -59.7 146.53 40.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.468 HD21 ' CE2' ' A' ' 6' ' ' TYR . 9.9 mt -146.7 -49.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 39.6 p-10 -79.99 0.29 32.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 1.7 tt0 80.23 41.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -114.25 -34.83 5.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.411 ' C ' ' HD3' ' A' ' 46' ' ' ARG . . . 134.74 -57.47 0.69 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.445 1.091 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.697 ' CZ ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -148.42 -80.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 0.0 110.343 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.494 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 13.1 m -150.67 78.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.402 1.064 . . . . 0.0 109.25 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 49' ' ' SER . 7.4 p30 -63.3 -29.89 71.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 159.15 -26.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.055 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.2 m -81.48 -44.28 17.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.92 -32.02 45.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -41.18 -52.57 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -57.96 -68.99 1.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -40.04 -45.27 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.561 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 2.1 mm? -56.84 -61.67 2.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.508 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -66.55 -3.31 6.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -90.31 -47.41 7.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.696 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -91.26 -40.61 11.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.661 HG22 ' CE2' ' A' ' 58' ' ' TYR . 1.1 pp -58.08 -17.74 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 tp -52.41 -59.51 4.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.92 34.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' ILE . 15.1 mt-10 -124.36 -0.11 8.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.2 OUTLIER -39.53 121.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 169.2 -54.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 t -123.98 -37.81 2.54 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.588 HD11 ' CE2' ' A' ' 58' ' ' TYR . 0.2 OUTLIER 67.91 115.8 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.598 1.186 . . . . 0.0 109.332 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.456 ' O ' ' C ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.04 62.38 5.88 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.481 1.78 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.533 ' CD2' ' HB2' ' A' ' 69' ' ' LYS . 34.4 p90 -31.94 -43.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.533 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -105.29 139.42 39.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -150.03 -58.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ' CA' . . . . . 0.429 'CA ' ' HB3' ' A' ' 12' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.3 mtt . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.483 0.183 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.51 -179.49 5.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.977 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.2 p -98.02 -165.76 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.365 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.44 ' CE ' ' OD1' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -59.84 177.83 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -178.94 170.65 1.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.603 ' CE2' HD23 ' A' ' 41' ' ' LEU . 0.4 OUTLIER -137.38 113.76 10.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.56 ' H ' ' ND2' ' A' ' 38' ' ' ASN . . . 34.15 58.97 0.63 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.432 1.082 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.513 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 0.8 OUTLIER -57.16 151.63 15.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.577 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 57.9 t -88.87 -54.89 7.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.432 ' C ' ' CG ' ' A' ' 11' ' ' ASP . 2.1 p30 -116.12 24.62 11.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.432 ' CG ' ' C ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER 48.88 52.62 13.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.64 -33.06 6.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.414 ' C ' ' HG3' ' A' ' 14' ' ' LYS . . . -174.34 -59.69 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.45 ' CD ' ' OD1' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -167.19 168.43 13.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.347 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.577 ' CG2' ' CG2' ' A' ' 9' ' ' VAL . 9.5 p -86.39 111.71 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 0.2 OUTLIER -160.43 -174.2 4.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.373 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.1 t -47.47 -31.22 4.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.983 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.1 m -57.61 -25.88 60.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.436 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -114.41 23.15 13.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.64 -16.9 29.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.242 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.8 t -62.95 -60.34 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.24 -51.26 39.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.475 ' CD1' HG23 ' A' ' 47' ' ' VAL . 1.3 tp -43.8 -57.04 3.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.71 -45.87 29.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -26.54 67.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.679 ' CE1' ' NH1' ' A' ' 46' ' ' ARG . 1.5 t80 -77.35 -59.41 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.6 t -49.98 -41.24 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.225 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -48.28 75.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -162.05 163.33 28.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.1 p -95.99 109.63 21.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.05 -59.9 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.451 1.094 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.0 158.11 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.59 119.47 39.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.463 HD13 ' CD ' ' A' ' 46' ' ' ARG . 4.2 pt -136.94 176.61 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 1.8 m-20 -93.71 60.65 3.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.474 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 2.9 t -68.93 -7.48 35.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.413 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.56 -65.47 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.56 ' ND2' ' H ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -105.95 42.25 1.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.474 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -94.58 -86.47 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.431 ' HB2' ' CA ' ' A' ' 46' ' ' ARG . 4.0 t70 -77.13 143.89 38.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.603 HD23 ' CE2' ' A' ' 6' ' ' TYR . 1.1 mm? -125.63 35.37 4.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.407 ' OD1' ' OD1' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -138.33 10.47 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.421 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 0.7 OUTLIER 62.36 50.68 3.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.473 ' CB ' ' OD1' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -124.03 -38.44 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.49 ' CA ' ' NH1' ' A' ' 46' ' ' ARG . . . 147.62 -73.54 0.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.575 1.172 . . . . 0.0 111.014 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.679 ' NH1' ' CE1' ' A' ' 26' ' ' TYR . 2.0 mtm-85 -137.21 -83.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.475 HG23 ' CD1' ' A' ' 23' ' ' LEU . 20.8 m -141.03 120.54 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.473 ' OD1' ' CB ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -99.82 -44.68 5.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.1 t 179.44 -36.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.531 1.144 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.4 m -75.94 -38.79 57.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 110.384 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 52' ' ' LEU . 1.5 m-20 -67.14 -58.48 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -39.18 -42.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.29 -70.44 0.97 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 68' ' ' TYR . 0.3 OUTLIER -52.82 -39.56 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.555 ' HA ' ' CD2' ' A' ' 58' ' ' TYR . 0.2 OUTLIER -60.26 -59.39 5.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.506 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -61.3 -8.18 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -90.45 -48.7 6.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.68 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -87.46 -40.02 14.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.632 HG22 ' CE2' ' A' ' 58' ' ' TYR . 1.3 pp -57.94 -17.26 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -32.0 62.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.78 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.488 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 mt-10 -54.57 -15.87 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.075 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.488 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -33.09 110.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.44 ' OD1' ' CE ' ' A' ' 4' ' ' LYS . 2.0 t70 166.28 -54.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 t -118.46 -34.15 4.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.673 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 1.2 tt 66.06 109.39 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -75.03 61.69 5.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.504 ' CD2' ' N ' ' A' ' 69' ' ' LYS . 25.1 p90 -35.83 -48.19 0.55 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.396 1.06 . . . . 0.0 110.974 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.504 ' N ' ' CD2' ' A' ' 68' ' ' TYR . 10.4 ttmt 60.47 115.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.6 142.29 51.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.9 mtt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.435 0.16 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.49 126.4 19.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.0 p -110.62 -170.66 1.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.425 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.55 137.34 50.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 1.4 pt? -176.24 154.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.496 ' CE1' HD22 ' A' ' 41' ' ' LEU . 2.4 t80 -150.36 124.99 9.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.39 1.056 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.472 ' O ' ' CG1' ' A' ' 15' ' ' VAL . . . 63.73 61.79 5.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.579 1.175 . . . . 0.0 111.024 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.78 150.15 21.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 109.375 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.54 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 84.4 t -99.22 -56.04 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.375 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.42 ' O ' ' CG ' ' A' ' 11' ' ' ASP . 1.4 p30 -108.01 25.18 11.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 10' ' ' ASN . 3.8 p-10 48.76 41.48 18.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.33 -51.8 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.93 -48.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' CD ' ' HB ' ' A' ' 59' ' ' ILE . 0.4 OUTLIER 179.59 168.08 1.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 0.754 . . . . 0.0 109.236 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.54 ' CG2' ' CG2' ' A' ' 9' ' ' VAL . 14.7 p -85.23 110.14 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.447 ' N ' HD21 ' A' ' 16' ' ' ASN . 0.4 OUTLIER -149.55 -173.96 4.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 t -48.56 -23.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.2 m -69.82 -42.28 73.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 110.412 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -92.48 25.45 3.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.434 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -62.35 -38.74 90.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.24 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ALA . 71.1 t -40.67 -60.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.461 ' CA ' HD13 ' A' ' 32' ' ' ILE . . . -68.89 -30.53 69.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.528 ' CD1' ' CG2' ' A' ' 47' ' ' VAL . 0.9 OUTLIER -57.89 -60.37 3.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -46.11 -47.23 17.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.406 1.066 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 29' ' ' ARG . 1.1 mtt-85 -62.78 -32.73 73.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 2.9 t80 -73.14 -45.73 55.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 20.2 t -59.63 -46.71 92.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 109.328 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.63 -45.13 92.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -172.91 178.57 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.267 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.59 96.01 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -134.85 -50.06 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.461 HD13 ' CA ' ' A' ' 22' ' ' ALA . 1.1 pt -59.84 157.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m -101.13 120.97 40.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.557 HD11 ' CD2' ' A' ' 26' ' ' TYR . 2.9 pt -141.39 178.7 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.84 64.79 1.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 37' ' ' ASP . 5.5 t -66.98 -11.08 55.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' THR . 2.8 m-20 -39.67 -72.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.18 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.406 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.8 OUTLIER -110.65 55.53 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.437 ' HA ' ' CA ' ' A' ' 7' ' ' GLY . . . -109.25 -73.03 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -54.4 138.18 40.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' ' 6' ' ' TYR . 3.4 mt -134.46 -46.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.47 ' ND2' ' OD2' ' A' ' 44' ' ' ASP . 47.8 p-10 -81.75 5.35 18.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 66.7 36.42 4.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.47 ' OD2' ' ND2' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -113.86 -31.97 6.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 143.82 -68.21 0.43 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -147.71 -77.76 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 0.79 . . . . 0.0 110.235 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.528 ' CG2' ' CD1' ' A' ' 23' ' ' LEU . 1.8 m -140.71 75.93 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.73 -46.9 87.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.89 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.0 m -86.65 -37.91 17.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.142 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 54' ' ' ILE . 0.1 OUTLIER -65.51 -49.87 67.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.419 ' HG ' ' N ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -46.14 -49.38 16.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.419 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -52.97 -24.99 22.52 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.471 ' CD1' ' HD2' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -90.38 -43.55 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.568 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 1.7 mp -64.54 -54.18 36.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.497 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -61.85 -5.91 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.244 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -90.82 -48.57 6.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.674 ' CZ ' ' CG2' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -90.35 -27.35 19.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.674 ' CG2' ' CZ ' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -78.54 0.36 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.61 1.193 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.413 ' O ' ' HB3' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -71.45 -53.73 12.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.419 ' C ' ' H ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -176.97 -32.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.5 mt-10 -71.2 5.03 2.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.207 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.479 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -33.96 131.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 1.9 m-20 158.98 57.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 0.0 109.372 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.435 ' HB ' ' O ' ' A' ' 64' ' ' ASP . 24.7 m 73.7 77.23 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.392 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.583 ' HB3' ' CD2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -40.4 160.4 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.471 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.02 -12.89 21.48 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.58 1.831 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 67' ' ' PRO . 12.7 t80 31.96 83.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -104.41 105.47 15.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.67 -58.71 6.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 109.351 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.475 0.179 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.6 161.09 42.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.067 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.4 m -130.21 133.29 46.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.441 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -50.89 148.05 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.509 ' CD2' ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -164.22 147.75 9.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.526 ' CZ ' HD21 ' A' ' 41' ' ' LEU . 16.6 t80 -145.55 110.95 5.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.509 ' O ' ' CG1' ' A' ' 15' ' ' VAL . . . 80.38 59.38 2.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 14' ' ' LYS . 0.4 OUTLIER -91.83 151.01 20.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.58 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 55.3 t -96.31 -60.36 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -109.06 27.36 9.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 49.8 50.25 18.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.02 -51.71 2.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.413 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -160.36 -47.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' HG3' ' CG2' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -177.06 167.62 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 0.0 109.343 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.58 ' CG2' ' CG2' ' A' ' 9' ' ' VAL . 12.6 p -86.39 111.87 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.403 ' ND2' HG22 ' A' ' 18' ' ' THR . 1.0 OUTLIER -160.01 -173.03 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.408 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 10.9 t -41.87 -43.28 2.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 109.955 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.403 HG22 ' ND2' ' A' ' 16' ' ' ASN . 3.1 t -46.74 -39.34 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.476 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -104.42 29.94 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.593 1.183 . . . . 0.0 109.362 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -65.95 -15.41 62.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.344 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.5 t -76.65 -60.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . . . -66.44 -19.47 65.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 1.7 tm? -78.78 -60.26 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -49.74 -29.28 7.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -72.79 -31.81 65.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.712 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 5.3 t80 -84.6 -40.87 16.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -36.23 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.9 tp -77.65 -17.12 58.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.142 . . . . 0.0 109.382 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 176.19 119.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.8 p -69.61 76.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.989 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.422 ' N ' ' HD3' ' A' ' 29' ' ' ARG . . . -128.38 -42.48 0.25 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.587 1.18 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 4.0 tt -59.5 155.89 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.408 ' N ' HG12 ' A' ' 32' ' ' ILE . 27.8 p -100.96 120.63 40.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.472 ' CD1' ' HD2' ' A' ' 46' ' ' ARG . 3.6 pt -146.04 153.47 13.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.503 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -69.81 63.15 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.469 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 14.1 t -70.74 -4.22 22.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.414 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.3 -62.17 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.478 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -119.59 45.93 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -101.64 -53.85 2.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.524 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 4.2 t70 -66.96 141.39 57.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.526 HD21 ' CZ ' ' A' ' 6' ' ' TYR . 8.7 mt -143.68 14.81 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.438 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.0 m120 -145.61 11.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.502 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 3.1 tt0 67.33 47.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -126.81 -35.85 2.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.524 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 134.06 -54.6 0.76 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.712 ' CZ ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -149.83 -87.19 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.466 ' CG2' ' HG ' ' A' ' 23' ' ' LEU . 6.0 m -140.16 139.5 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.91 -44.48 2.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.513 ' O ' ' CD1' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -178.26 -36.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.5 m -97.71 -27.72 14.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.46 ' CB ' ' HA ' ' A' ' 47' ' ' VAL . 0.2 OUTLIER -64.29 -58.18 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.18 . . . . 0.0 109.244 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.543 ' C ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -44.7 -36.92 3.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.496 ' N ' ' CD1' ' A' ' 52' ' ' LEU . . . -53.78 -34.81 51.5 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.528 1.142 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.448 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -80.43 -48.95 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.34 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.549 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 4.2 mm? -52.01 -61.44 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.435 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.95 -14.16 5.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -88.05 -60.87 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 110.251 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.646 ' CD2' ' CD1' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -67.99 -25.64 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.645 HG21 ' CD2' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -88.97 0.81 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.77 -34.39 76.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.482 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER 179.45 -34.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.49 ' O ' ' C ' ' A' ' 63' ' ' ILE . 10.9 mm-40 -59.34 -11.36 4.11 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.56 1.162 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.541 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -33.28 120.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER 152.55 -54.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 t -120.19 -32.23 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.646 ' CD1' ' CD2' ' A' ' 58' ' ' TYR . 0.1 OUTLIER 64.51 100.94 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.0 60.63 5.49 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 67' ' ' PRO . 24.9 p90 -35.85 151.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.85 128.58 0.93 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.224 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -45.08 -47.82 11.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.4 mtm . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.465 0.174 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.23 -77.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.94 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -176.64 -175.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.412 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.2 mttt 59.77 95.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.433 ' CD1' ' OD1' ' A' ' 11' ' ' ASP . 1.1 pt? -173.02 129.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.65 ' CZ ' ' CD1' ' A' ' 41' ' ' LEU . 28.5 t80 -133.34 95.12 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 67.38 41.03 91.57 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.445 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 6.8 t0 -59.41 154.01 17.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 0.797 . . . . 0.0 109.225 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.431 HG13 ' CG2' ' A' ' 34' ' ' ILE . 21.7 t -90.17 -60.84 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.467 ' ND2' ' OD2' ' A' ' 12' ' ' ASP . 8.1 p30 -88.43 -13.67 39.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.439 ' HA ' ' HB3' ' A' ' 8' ' ' ASP . 6.8 t0 70.66 50.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.467 ' OD2' ' ND2' ' A' ' 10' ' ' ASN . 0.9 OUTLIER -118.2 -34.34 4.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 12' ' ' ASP . . . -150.71 -67.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -171.98 158.88 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.451 HG11 ' CD1' ' A' ' 55' ' ' LEU . 2.7 p -78.71 114.78 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 14' ' ' LYS . 1.1 p30 -160.19 -174.36 4.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 t -48.59 -23.36 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.403 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 94.1 m -70.56 -34.69 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.423 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.457 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 63.4 m-20 -92.83 25.53 3.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.59 -35.25 75.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.2 t -47.84 -60.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.465 ' CB ' HD11 ' A' ' 32' ' ' ILE . . . -67.48 -19.73 65.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 27' ' ' VAL . 2.6 tp -72.46 -61.82 1.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.378 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -40.45 -40.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -43.35 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.703 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 5.3 t80 -67.85 -31.8 71.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.45 HG22 ' NH2' ' A' ' 46' ' ' ARG . 24.0 t -70.35 -51.65 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.393 1.058 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -27.96 50.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' NH1' ' CA ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 178.26 173.35 0.64 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.18 86.19 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.067 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.473 ' CA ' ' NH1' ' A' ' 29' ' ' ARG . . . -133.05 -41.88 0.17 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.465 HD11 ' CB ' ' A' ' 22' ' ' ALA . 20.0 tt -59.1 157.77 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 0.784 . . . . 0.0 109.349 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -99.49 119.99 38.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 26' ' ' TYR . 2.4 pt -148.77 159.54 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.507 ' O ' ' CB ' ' A' ' 39' ' ' ALA . 1.7 m-80 -65.33 73.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.543 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 0.5 OUTLIER -70.92 -0.43 9.21 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.44 -75.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.238 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.508 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -111.62 29.16 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.543 ' HB2' ' HA ' ' A' ' 36' ' ' THR . . . -68.51 -52.39 32.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.504 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 4.6 t70 -88.85 143.28 27.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.65 ' CD1' ' CZ ' ' A' ' 6' ' ' TYR . 2.1 mp -142.51 17.25 2.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 1.0 OUTLIER -146.62 18.33 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.266 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 57.32 33.69 23.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.412 ' OD2' ' OD1' ' A' ' 51' ' ' ASP . 10.4 m-20 -115.04 -31.83 5.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.504 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 126.35 -56.9 0.71 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.703 ' CZ ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -156.88 -95.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 110.22 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.537 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 6.8 m -130.93 82.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -77.02 -37.56 54.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 169.57 -34.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 109.944 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -79.88 -40.52 28.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.584 1.178 . . . . 0.0 110.361 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.418 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -75.92 -39.23 56.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.08 . . . . 0.0 109.244 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -38.97 -46.62 1.35 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -52.45 -83.55 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.483 HG22 ' CD2' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -43.12 -44.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.387 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.495 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 0.7 OUTLIER -53.69 -59.8 4.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.518 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -69.87 -5.45 25.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -91.71 -41.48 10.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.704 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -88.93 -41.69 12.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.675 HG21 ' CE2' ' A' ' 58' ' ' TYR . 1.6 pp -59.7 -23.93 27.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.39 -36.26 4.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.12 -34.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 63' ' ' ILE . 2.0 mt-10 -50.73 -18.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.512 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -31.11 100.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 62' ' ' GLU . 17.9 t0 170.43 -32.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.6 t -147.54 -45.58 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.42 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.579 HD11 ' CD2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER 69.64 102.34 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 68' ' ' TYR . 18.6 Cg_endo -74.87 60.42 5.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.77 . . . . 0.0 111.095 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.472 ' CD2' ' N ' ' A' ' 69' ' ' LYS . 26.0 p90 -33.93 -47.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.472 ' N ' ' CD2' ' A' ' 68' ' ' TYR . 1.3 ttmm -45.78 107.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -139.7 159.86 41.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.3 mtt . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.491 0.186 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.51 171.35 4.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -145.31 132.38 20.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.462 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.2 106.73 3.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -174.7 160.66 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.233 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.414 ' CE1' HD23 ' A' ' 41' ' ' LEU . 2.2 t80 -148.88 115.14 5.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.528 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 56.22 61.9 6.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.563 1.165 . . . . 0.0 110.969 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.448 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 4.0 t0 -80.48 150.8 29.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.584 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 62.0 t -94.63 -60.21 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -106.06 24.12 12.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.235 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 t70 50.06 49.49 20.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.0 -49.53 3.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.18 -52.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.82 161.06 1.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.584 ' CG2' ' CG2' ' A' ' 9' ' ' VAL . 14.3 p -77.57 114.52 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 7.1 p-10 -152.41 -175.4 5.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -49.91 -22.16 1.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.993 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.2 m -68.57 -35.3 77.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.423 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -100.18 21.88 12.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.73 -32.86 74.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.3 t -48.91 -60.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.449 ' O ' ' NH2' ' A' ' 46' ' ' ARG . . . -66.07 -19.79 65.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.499 ' O ' ' N ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -72.62 -59.76 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -40.43 -43.97 1.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.386 1.054 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 29' ' ' ARG . 3.3 mtt-85 -67.62 -40.93 84.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 23' ' ' LEU . 33.6 t80 -59.87 -54.78 42.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.458 ' CG2' HD22 ' A' ' 23' ' ' LEU . 4.2 t -55.86 -49.23 76.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -53.99 52.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -153.86 -179.96 8.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.301 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.3 p -115.49 74.64 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.72 -54.65 0.56 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.446 ' CD1' HG21 ' A' ' 34' ' ' ILE . 1.1 pt -59.78 179.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 t -130.81 128.28 40.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.972 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.457 HD13 ' CZ ' ' A' ' 46' ' ' ARG . 2.7 pt -142.07 155.24 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.505 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -69.71 66.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.458 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 1.7 t -65.68 -11.65 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.173 . . . . 0.0 110.436 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.97 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.528 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -109.97 39.07 2.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.472 ' HA ' ' CA ' ' A' ' 7' ' ' GLY . . . -69.98 -82.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.483 ' HB2' ' CA ' ' A' ' 46' ' ' ARG . 8.8 t0 -91.89 164.93 13.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.439 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 2.2 mm? -113.3 -26.17 8.5 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 5.8 m120 -71.48 -16.26 62.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 2.4 tt0 81.46 50.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.4 ' CG ' ' HB2' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -121.88 -36.53 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.435 ' O ' ' CB ' ' A' ' 39' ' ' ALA . . . 159.87 -65.61 0.28 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.11 . . . . 0.0 111.059 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.483 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . 0.0 OUTLIER -161.8 -61.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.424 0.72 . . . . 0.0 110.335 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.1 m -141.41 113.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.1 -50.76 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.516 ' O ' ' CD1' ' A' ' 52' ' ' LEU . 0.4 OUTLIER 172.45 -32.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 1.178 . . . . 0.0 110.014 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.6 m -100.36 -14.44 18.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -90.25 -47.5 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.538 ' C ' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -49.93 -37.64 32.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.611 1.195 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.467 ' N ' ' CD1' ' A' ' 52' ' ' LEU . . . -51.96 -44.91 56.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.427 1.08 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.444 ' CD1' ' CE2' ' A' ' 68' ' ' TYR . 0.7 OUTLIER -72.21 -35.28 52.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.444 0.732 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.596 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -65.48 -61.62 1.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.5 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.82 -6.15 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -90.69 -54.46 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.671 ' CZ ' ' CG2' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -84.3 -28.64 26.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.671 ' CG2' ' CZ ' ' A' ' 58' ' ' TYR . 0.8 OUTLIER -76.02 -18.93 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 tp -40.78 -35.56 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' C ' ' H ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER 178.68 -29.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.204 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.6 mt-10 -78.16 25.74 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.575 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -33.87 143.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.575 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 9.6 t0 89.6 -27.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.418 ' C ' ' HD3' ' A' ' 67' ' ' PRO . 9.2 m -79.33 52.05 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.584 ' HG ' ' CD2' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -122.0 75.11 38.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.375 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.418 ' HD3' ' C ' ' A' ' 65' ' ' THR . 18.2 Cg_endo -74.97 -30.84 6.78 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.551 1.816 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.444 ' CE2' ' CD1' ' A' ' 54' ' ' ILE . 38.1 m-85 -47.31 135.66 10.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -162.15 67.58 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 p30 178.93 -43.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.426 1.079 . . . . 0.0 110.996 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.2 mtt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.474 0.178 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.3 150.56 30.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.041 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 177.6 153.82 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.42 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.58 136.09 47.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.5 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -148.68 164.05 35.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.567 ' CE2' HD11 ' A' ' 66' ' ' LEU . 10.0 t80 -130.76 109.97 10.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.689 ' H ' ' ND2' ' A' ' 38' ' ' ASN . . . 37.58 55.03 1.72 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.473 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 6.0 t0 -61.94 154.36 26.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 22' ' ' ALA . 99.4 t -88.47 -60.71 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.448 ' ND2' ' OD2' ' A' ' 12' ' ' ASP . 11.8 p30 -90.82 -13.95 32.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.448 ' HA ' ' HB3' ' A' ' 8' ' ' ASP . 14.8 t0 71.38 50.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.448 ' OD2' ' ND2' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -116.89 -33.07 4.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.404 ' C ' ' OD2' ' A' ' 8' ' ' ASP . . . -152.91 -67.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.473 ' HE2' ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -173.75 150.58 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.765 . . . . 0.0 109.341 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.468 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 2.7 p -61.63 117.25 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 52.3 p30 -159.88 -165.3 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 41.8 t -59.08 -41.52 88.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.6 m -53.34 -26.43 19.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -96.88 18.31 14.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 109.36 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -61.68 -32.9 73.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 t -53.25 -61.14 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.477 ' HB3' ' CG1' ' A' ' 9' ' ' VAL . . . -65.88 -48.1 72.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.503 ' CD1' ' CG2' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -49.51 -54.43 17.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 63.7 tttt -44.2 -47.64 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.25 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -65.07 -34.56 78.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.115 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.651 ' CE1' ' NE ' ' A' ' 46' ' ' ARG . 34.2 t80 -74.91 -32.1 61.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.401 ' CG2' ' HG ' ' A' ' 23' ' ' LEU . 31.6 t -75.87 -51.52 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -34.33 62.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.82 173.42 4.53 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -106.44 85.78 2.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.555 1.159 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.72 -44.75 0.08 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 17.2 tt -59.96 154.6 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.415 ' C ' ' CG2' ' A' ' 34' ' ' ILE . 84.2 p -99.79 118.67 36.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.93 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.415 ' CG2' ' C ' ' A' ' 33' ' ' SER . 0.5 OUTLIER -150.22 151.0 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 0.9 OUTLIER -70.69 67.91 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.3 t -86.04 24.78 1.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.421 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -88.28 -39.18 14.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.689 ' ND2' ' H ' ' A' ' 7' ' ' GLY . 1.7 p-10 -121.61 12.8 10.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.41 ' CA ' ' HA3' ' A' ' 7' ' ' GLY . . . -85.78 -29.34 23.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 46.8 t0 -98.47 129.7 45.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.415 HD23 ' N ' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -128.57 -42.54 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -84.33 6.85 21.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 65.85 43.95 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.8 p30 -116.19 -36.96 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 46' ' ' ARG . . . 144.45 -71.17 0.38 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.651 ' NE ' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -145.15 -82.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.503 ' CG2' ' CD1' ' A' ' 23' ' ' LEU . 15.6 m -139.18 75.41 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' CG ' ' N ' ' A' ' 49' ' ' SER . 8.3 p30 -61.53 -47.93 83.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 48' ' ' ASN . 3.1 t 178.4 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 110.083 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.07 -40.13 47.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.417 ' OD1' ' OD1' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -74.41 -41.62 60.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.22 -61.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -52.37 -58.83 9.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -48.27 -50.55 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.345 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.541 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 0.8 OUTLIER -59.39 -60.59 3.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.07 -7.94 2.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -91.95 -47.94 7.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.704 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -85.51 -39.57 17.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.67 HG23 ' CE2' ' A' ' 58' ' ' TYR . 1.2 pt -62.11 -13.85 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.427 1.079 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tp -56.37 -33.15 65.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.97 -36.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.509 ' O ' ' C ' ' A' ' 63' ' ' ILE . 55.5 mm-40 -51.86 -19.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.509 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -30.99 108.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 4.8 m-20 156.9 -23.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.9 t -139.05 -46.09 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.661 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 3.7 tt 66.17 104.64 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 61.45 5.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.464 ' CA ' HD21 ' A' ' 66' ' ' LEU . 4.4 p90 -39.93 161.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.27 125.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -63.47 131.4 48.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 120.476 0.179 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.09 164.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.7 p -127.87 -172.75 2.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.42 123.75 35.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.5 ' CD2' ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -167.5 148.7 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.244 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.569 ' CE1' HD22 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -147.65 119.02 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 64.43 59.93 7.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 13' ' ' GLY . 3.5 t0 -89.73 121.03 31.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.789 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.49 ' CG1' ' NH2' ' A' ' 46' ' ' ARG . 72.2 t -74.93 -60.98 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -102.1 30.31 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.256 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.413 ' HA ' ' CG ' ' A' ' 8' ' ' ASP . 6.4 t0 48.37 41.84 17.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.611 1.194 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 1.4 t70 -92.91 -56.53 2.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.464 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -162.99 -42.51 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' CG ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -171.5 -165.7 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.276 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' GLY . 2.9 p -113.69 103.96 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.439 ' N ' HD21 ' A' ' 16' ' ' ASN . 0.5 OUTLIER -142.03 -172.23 3.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.169 . . . . 0.0 109.352 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.3 t -49.39 -23.84 1.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.4 m -65.45 -47.25 76.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 14' ' ' LYS . 96.4 m-20 -94.46 30.49 1.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.96 -2.03 42.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.6 t -76.54 -60.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.183 . . . . 0.0 109.251 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.84 -26.63 68.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.477 ' HA ' ' CZ ' ' A' ' 46' ' ' ARG . 0.8 OUTLIER -69.62 -56.73 6.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.46 -37.05 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -81.15 -29.75 34.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' LEU . 23.6 t80 -65.45 -33.93 77.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.466 ' CG2' HD23 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -90.43 -40.26 12.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.76 -31.86 70.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.54 ' O ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -125.02 -67.27 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.346 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 1.3 t 88.09 52.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.433 ' N ' ' CD ' ' A' ' 29' ' ' ARG . . . -151.79 48.82 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' CD1' ' CD1' ' A' ' 26' ' ' TYR . 1.6 pp -123.22 164.11 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.409 ' C ' HG23 ' A' ' 34' ' ' ILE . 0.5 OUTLIER -95.31 118.39 31.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.518 ' CD1' ' HD2' ' A' ' 46' ' ' ARG . 24.8 pt -149.59 171.81 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.584 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -81.04 45.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.432 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 1.8 t -39.49 -28.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.422 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' ASN . 6.4 m-20 -39.49 -74.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -110.26 38.11 2.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.432 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -64.99 -67.98 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 43' ' ' GLU . 1.0 OUTLIER -115.04 165.14 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.569 HD22 ' CE1' ' A' ' 6' ' ' TYR . 2.3 mm? -114.7 -26.72 7.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.501 ' CB ' ' OD1' ' A' ' 44' ' ' ASP . 29.9 m120 -64.61 -11.61 36.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 4.4 mt-10 70.4 39.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.501 ' OD1' ' CB ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -116.46 -33.15 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.411 ' C ' ' HG3' ' A' ' 46' ' ' ARG . . . 156.78 -77.15 0.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.518 ' HD2' ' CD1' ' A' ' 34' ' ' ILE . 12.4 mtp180 -140.25 -73.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.441 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 16.0 m -144.63 100.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.92 -40.95 75.25 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.587 1.179 . . . . 0.0 109.225 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.463 ' HA ' ' CD2' ' A' ' 52' ' ' LEU . 0.4 OUTLIER 174.92 -34.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' ASP . 16.9 m -89.85 -51.63 5.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.44 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.425 ' OD1' ' OD1' ' A' ' 42' ' ' ASN . 1.0 OUTLIER -39.7 -56.09 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.463 ' CD2' ' HA ' ' A' ' 49' ' ' SER . 3.1 pp -38.56 -54.48 1.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.407 ' N ' HD11 ' A' ' 52' ' ' LEU . . . -46.6 -74.61 0.22 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.1 -39.35 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.628 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 3.0 mm? -57.69 -63.39 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.509 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -64.79 -3.5 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.428 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -91.18 -49.2 6.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 110.266 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.675 ' CZ ' ' CG2' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -91.01 -30.71 16.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 110.957 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.675 ' CG2' ' CZ ' ' A' ' 58' ' ' TYR . 0.8 OUTLIER -71.84 -24.22 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.351 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.496 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 1.8 tm? -92.0 4.09 53.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -116.84 -111.47 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -82.68 -4.97 58.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.4 tp 32.12 90.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.356 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER 158.88 -35.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.7 m -72.39 -72.68 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 110.403 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.633 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 7.1 tt 68.21 89.26 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 57.31 4.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.478 ' O ' ' CD1' ' A' ' 68' ' ' TYR . 21.3 p90 -38.47 123.94 1.24 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.91 155.56 45.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.247 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 61.05 166.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.367 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ' CA' . . . . . 0.449 'CA ' ' HB3' ' A' ' 12' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 mtt . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.528 0.204 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.19 102.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.3 t -149.45 167.03 27.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.359 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.28 67.09 1.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.86 132.49 35.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.227 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.508 ' CE1' ' HB2' ' A' ' 38' ' ' ASN . 3.1 t80 -150.36 123.48 8.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 92.21 15.56 53.29 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.503 ' OD1' ' N ' ' A' ' 13' ' ' GLY . 0.5 OUTLIER -64.16 91.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.612 0.831 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.463 ' HB ' ' CG ' ' A' ' 19' ' ' ASP . 42.9 t -61.1 -60.75 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -105.83 29.23 6.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.216 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.452 ' HA ' ' CG ' ' A' ' 8' ' ' ASP . 1.1 m-20 48.6 61.21 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -118.72 -54.54 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.352 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -151.93 -57.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.402 1.064 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.43 ' HE2' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -172.17 -171.73 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.545 ' CG2' ' NE ' ' A' ' 46' ' ' ARG . 8.4 p -87.52 113.63 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.43 ' ND2' ' HE2' ' A' ' 14' ' ' LYS . 15.8 p-10 -160.61 170.7 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.353 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 3.3 t -46.48 -33.59 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 m -50.67 -33.46 22.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.402 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.463 ' CG ' ' HB ' ' A' ' 9' ' ' VAL . 87.6 m-20 -96.92 24.39 6.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.389 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.449 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -59.94 -37.94 80.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.4 t -46.99 -43.3 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -81.13 -58.77 2.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.521 ' HB2' ' CZ ' ' A' ' 46' ' ' ARG . 0.4 OUTLIER -42.67 -47.37 5.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.47 -58.89 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.418 ' CB ' HG22 ' A' ' 32' ' ' ILE . 0.4 OUTLIER -62.16 -37.47 85.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.402 ' HB3' ' O ' ' A' ' 23' ' ' LEU . 59.9 t80 -63.83 -34.52 78.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.062 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.49 ' CG2' ' CD1' ' A' ' 23' ' ' LEU . 38.9 t -83.27 -48.37 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -35.91 71.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HD3' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -164.21 -174.12 3.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.69 74.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.953 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.428 ' N ' ' HD3' ' A' ' 29' ' ' ARG . . . -122.99 -50.85 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.418 HG22 ' CB ' ' A' ' 25' ' ' ARG . 2.8 pp -59.87 160.68 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.2 p -117.07 125.71 51.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.408 1.068 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.44 ' CG2' HG13 ' A' ' 9' ' ' VAL . 22.4 pt -139.75 -179.77 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.488 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 2.3 p30 -85.79 40.62 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.403 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -38.47 -29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.8 m-20 -44.15 -59.09 2.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.508 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.7 p-10 -119.47 49.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.246 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -105.58 -49.96 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 43' ' ' GLU . 1.6 t70 -79.5 141.24 36.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.5 mp -139.6 13.6 2.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.412 ' CG ' ' OD1' ' A' ' 51' ' ' ASP . 12.2 m120 -141.32 14.9 2.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 2.3 mt-10 58.57 34.0 23.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 6.3 m-20 -114.26 -32.14 6.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 132.54 -44.48 1.2 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.545 ' NE ' ' CG2' ' A' ' 15' ' ' VAL . 9.2 mtp180 -167.17 -92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 0.798 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.453 ' CG2' HD21 ' A' ' 23' ' ' LEU . 34.1 m -142.84 102.25 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.16 -34.06 29.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.74 -32.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.962 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.5 m -88.09 -63.72 1.26 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' THR . 1.4 m-20 -36.99 -40.03 0.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -39.59 -61.27 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -37.17 -80.42 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -39.16 -50.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.521 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -51.66 -60.54 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.506 ' HA ' ' CD1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -69.33 -2.43 10.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.368 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -93.1 -53.72 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.707 ' CD1' ' C ' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -73.3 -40.92 64.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 111.028 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.686 HG21 ' CE2' ' A' ' 58' ' ' TYR . 3.1 pt -63.68 -26.3 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.0 tp -40.52 -56.13 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.408 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 0.8 OUTLIER -175.86 35.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -125.36 -3.45 7.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.4 ' HA ' ' CE1' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -40.75 114.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 168.51 -34.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -137.23 -44.11 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 110.439 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.703 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 5.3 tt 69.0 92.28 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 65.97 6.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.515 ' N ' HD21 ' A' ' 66' ' ' LEU . 8.7 p90 -45.23 144.3 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 111.044 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -138.86 126.46 21.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -109.44 164.02 12.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttm . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.488 0.185 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.42 163.73 6.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 t -167.0 161.34 14.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.454 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -122.71 129.99 52.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.432 HD23 ' N ' ' A' ' 5' ' ' LEU . 1.4 pt? -172.52 150.53 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 38' ' ' ASN . 21.4 t80 -150.26 96.5 2.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.511 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 101.65 55.64 0.88 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 14' ' ' LYS . 3.3 t0 -90.19 149.83 22.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.554 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 46.9 t -94.32 -56.29 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.456 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 1.7 p30 -109.5 26.75 10.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t0 50.05 42.71 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 109.248 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -99.91 -52.08 3.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.77 -49.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.382 1.051 . . . . 0.0 111.057 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -173.47 179.67 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.743 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.554 ' CG2' ' CG2' ' A' ' 9' ' ' VAL . 9.1 p -96.36 94.02 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.22 -170.27 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 15.1 t -51.35 -38.09 51.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.955 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.1 m -49.79 -43.81 48.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.398 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.456 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 97.5 m-20 -96.51 24.71 5.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -59.64 -40.48 87.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.1 t -41.81 -60.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . . . -61.06 -45.31 95.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -50.66 -60.53 2.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -40.42 -44.24 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -47.9 68.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.686 ' CE1' ' CZ ' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -59.43 -45.28 91.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.142 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 15.8 t -61.36 -56.89 14.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.87 -41.68 58.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -162.07 161.02 28.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 110.276 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.3 m -99.59 69.7 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.7 -37.22 0.68 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 13.0 tt -59.61 160.92 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.71 121.53 45.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 110.015 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.484 ' CG2' HG11 ' A' ' 9' ' ' VAL . 3.2 pt -146.48 165.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.456 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -86.37 59.9 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.487 ' O ' ' C ' ' A' ' 37' ' ' ASP . 5.3 t -61.17 -10.51 6.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.381 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.7 OUTLIER -34.18 -69.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.52 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -119.33 36.33 4.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.491 ' HA ' ' CA ' ' A' ' 7' ' ' GLY . . . -96.64 -18.04 19.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -115.68 104.02 11.27 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' CD1' ' OH ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -112.67 52.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 9.4 m120 -163.4 -30.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 1.8 tt0 86.91 35.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.444 ' OD1' ' CB ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -115.04 -30.97 6.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.247 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.53 ' CA ' ' NH2' ' A' ' 46' ' ' ARG . . . 154.96 -77.77 0.2 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.686 ' CZ ' ' CE1' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -153.99 -66.44 0.14 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 0.784 . . . . 0.0 110.352 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.475 ' CG2' ' HG ' ' A' ' 23' ' ' LEU . 18.3 m -146.67 71.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.118 . . . . 0.0 109.203 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 49' ' ' SER . 7.9 p30 -59.55 -40.62 87.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 166.41 -31.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 m -81.21 -33.64 32.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' LEU . 1.2 t0 -73.91 -43.73 57.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -38.77 -60.61 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -53.16 -72.61 0.51 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.146 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.433 HG23 ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -40.0 -42.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.527 0.781 . . . . 0.0 109.281 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.593 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 1.2 mm? -62.45 -61.54 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.493 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -62.91 -5.0 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.43 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -90.62 -49.61 6.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.64 ' CE2' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -90.35 -31.05 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.64 HG22 ' CE2' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -72.32 -20.17 19.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 2.3 tm? -93.96 1.63 56.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -118.5 -111.75 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.422 1.076 . . . . 0.0 109.211 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 mt-10 -77.83 -9.41 59.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.612 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER 30.91 90.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.369 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.612 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER 146.36 -20.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 66' ' ' LEU . 7.2 m -84.48 -45.14 12.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.128 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.597 ' HG ' ' CD2' ' A' ' 58' ' ' TYR . 5.4 tt 40.43 91.14 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.602 ' O ' ' CD1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.06 -2.24 12.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.803 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 67' ' ' PRO . 6.5 p90 34.67 42.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' O ' ' CG1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -111.05 173.86 6.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.586 1.179 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 65.39 124.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mtt . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.406 0.146 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.31 90.79 1.13 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.562 1.164 . . . . 0.0 110.029 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.7 t -158.55 156.51 30.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.88 155.99 16.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.072 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.508 ' CD2' ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -149.27 147.71 28.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.509 ' CD1' HD12 ' A' ' 66' ' ' LEU . 3.9 t80 -150.45 112.67 4.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.504 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 68.82 61.07 4.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.145 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -88.22 149.55 23.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.36 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.503 HG22 ' CB ' ' A' ' 15' ' ' VAL . 49.3 t -98.71 -59.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -101.7 21.48 14.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 50.03 50.41 18.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.36 -53.09 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.04 -52.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.568 1.168 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.04 169.21 1.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 0.749 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.504 ' O ' ' CD2' ' A' ' 55' ' ' LEU . 12.4 p -83.23 94.99 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.482 ' CB ' HD13 ' A' ' 59' ' ' ILE . 1.5 p30 -134.65 -179.63 5.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -45.5 -27.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.944 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -64.95 -40.74 95.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 16' ' ' ASN . 98.7 m-20 -92.52 21.55 5.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . -59.65 -41.01 89.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' ALA . 41.7 t -39.86 -47.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.475 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . . . -80.13 -33.44 38.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.446 ' CD2' HG21 ' A' ' 47' ' ' VAL . 1.4 tp -59.44 -60.11 4.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -51.95 -32.79 34.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.469 ' HG2' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -78.68 -31.32 46.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.649 ' CD1' ' NE ' ' A' ' 46' ' ' ARG . 17.8 t80 -80.83 -28.79 36.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.2 t -77.94 -43.98 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.97 0.02 57.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 30' ' ' SER . 1.9 tpt180 74.59 154.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.469 ' CB ' ' HG2' ' A' ' 25' ' ' ARG . 0.6 OUTLIER 163.97 158.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.052 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.81 59.06 0.51 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 1.6 tt -115.23 153.27 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.55 126.4 44.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.8 pt -140.36 176.7 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.371 1.044 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.65 67.01 2.34 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.483 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 5.1 t -68.15 -6.52 23.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.78 -75.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.504 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 2.8 p-10 -102.36 40.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.483 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -76.71 -90.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.503 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 0.6 OUTLIER -79.22 163.01 25.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -134.22 47.63 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.453 ' CG ' ' C ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -165.11 31.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.37 1.044 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 46.95 46.39 15.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.282 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -114.24 -36.45 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 130.14 -63.3 0.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.649 ' NE ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -145.62 -94.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.603 0.825 . . . . 0.0 110.26 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.446 HG21 ' CD2' ' A' ' 23' ' ' LEU . 26.7 m -134.57 96.51 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.408 1.067 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.14 -35.44 28.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 168.41 -31.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.2 m -78.07 -37.99 45.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.474 ' HB3' ' CD1' ' A' ' 55' ' ' LEU . 2.2 m-20 -80.13 -50.34 10.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -38.65 -45.34 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.75 -58.29 14.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -44.22 93.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.797 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.586 ' HA ' ' CE2' ' A' ' 58' ' ' TYR . 0.5 OUTLIER -60.99 -59.23 5.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.584 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -59.65 -1.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.578 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -91.77 -53.47 4.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.683 ' CE1' ' CG2' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -91.67 -34.03 14.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.683 ' CG2' ' CE1' ' A' ' 58' ' ' TYR . 1.4 pp -58.58 -15.7 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -47.96 -56.27 8.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' O ' HG21 ' A' ' 63' ' ' ILE . 0.0 OUTLIER 177.28 -25.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -63.73 -39.73 95.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.508 ' O ' ' O ' ' A' ' 62' ' ' GLU . 1.4 tp 40.2 96.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t0 170.83 -31.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.2 m -76.79 53.06 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 110.44 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.659 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -148.59 62.67 6.53 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.444 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 18.3 Cg_endo -75.03 -25.17 12.07 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.55 1.816 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -39.13 126.57 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.97 -68.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -120.17 116.05 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.0 mtt . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.448 0.166 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.78 146.77 41.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.434 HG23 ' CD1' ' A' ' 5' ' ' LEU . 8.8 t -112.17 -167.08 1.14 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.428 ' N ' ' OG1' ' A' ' 3' ' ' THR . 1.6 mttt -135.38 120.29 18.58 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.493 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -137.89 167.18 22.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -150.31 100.31 2.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.97 47.51 2.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 35' ' ' ASN . 2.8 t0 -81.73 125.77 31.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 0.774 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.475 ' CG2' HG21 ' A' ' 15' ' ' VAL . 47.8 t -77.64 -60.23 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.449 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 4.4 p30 -104.38 30.08 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.407 ' HA ' ' CG ' ' A' ' 8' ' ' ASP . 35.6 t70 48.16 42.48 17.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.405 ' HB3' 'CA ' ' A' ' 72' ' ' ' CA' . 6.3 t70 -98.2 -54.52 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -160.26 -45.18 0.02 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.45 1.094 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.39 -170.9 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG21 ' CG2' ' A' ' 9' ' ' VAL . 5.9 p -108.15 104.02 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.439 ' OD1' ' CB ' ' A' ' 18' ' ' THR . 5.7 p30 -154.02 -171.31 3.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.0 t -48.82 -23.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.955 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.439 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 45.5 m -67.55 -36.77 81.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.449 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.5 m-20 -111.16 22.16 15.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.88 -22.67 62.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.39 -59.71 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.462 ' HB2' ' CG1' ' A' ' 9' ' ' VAL . . . -67.68 -23.27 65.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' CD1' ' CG2' ' A' ' 15' ' ' VAL . 1.0 OUTLIER -66.73 -54.32 24.09 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -50.83 -42.91 58.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -69.46 -26.23 64.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.548 ' CE2' HD11 ' A' ' 34' ' ' ILE . 25.1 t80 -83.88 -35.98 23.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 t -67.31 -43.79 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.361 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.22 -57.47 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.508 ' O ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -147.3 -82.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.319 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 2.2 p 158.02 51.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.975 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.53 -20.43 10.95 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 16.7 tt -71.23 168.68 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.94 122.81 45.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.548 HD11 ' CE2' ' A' ' 26' ' ' TYR . 11.4 pt -146.61 -179.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.574 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -80.88 43.34 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -38.72 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.412 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -40.77 -73.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 1.8 p-10 -109.86 44.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.405 ' HB1' ' ND2' ' A' ' 35' ' ' ASN . . . -93.87 -61.31 1.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.47 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 8.1 t0 -64.19 155.6 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.258 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.451 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 36.7 mt -154.44 24.34 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 109.378 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.42 ' OD1' ' OD2' ' A' ' 44' ' ' ASP . 23.7 p-10 -173.86 37.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 47.84 43.2 17.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' NH2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -118.1 -35.83 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.47 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 129.3 -64.67 0.6 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.529 ' HD3' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -148.5 -55.91 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.76 . . . . 0.0 110.27 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.432 ' O ' ' NH1' ' A' ' 46' ' ' ARG . 3.6 t -156.92 107.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.48 ' ND2' HH22 ' A' ' 46' ' ' ARG . 0.3 OUTLIER -90.8 -49.18 6.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.8 p 179.24 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.5 m -84.12 -39.0 20.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 110.435 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' OD2' ' CG ' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -67.61 -28.5 67.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.423 ' HG ' ' N ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -52.19 -45.69 65.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -63.13 -62.15 5.71 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.435 ' CG2' ' HG ' ' A' ' 66' ' ' LEU . 2.5 mm -42.52 -46.28 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.624 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 3.1 mm? -60.92 -61.49 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.494 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 3.8 tttt -63.34 -0.92 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.497 ' H ' ' C ' ' A' ' 55' ' ' LEU . 2.7 mtt180 -90.42 -53.21 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.689 ' CZ ' ' CG2' ' A' ' 59' ' ' ILE . 1.9 p90 -90.52 -27.81 18.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.689 ' CG2' ' CZ ' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -74.97 -0.75 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.432 ' O ' ' HB3' ' A' ' 61' ' ' LYS . 13.3 tp -70.47 -52.96 18.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.432 ' HB3' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -177.59 -33.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -72.14 3.98 4.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.4 OUTLIER -34.42 131.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' A' ' 65' ' ' THR . 7.4 m-20 162.18 45.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.525 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 2.0 m 85.23 86.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.491 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.58 HD13 ' CD2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -50.35 154.79 1.97 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 54.49 3.67 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.459 1.768 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -48.61 95.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.049 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -161.5 178.5 9.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 m120 50.67 96.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ' CA' . . . . . 0.405 'CA ' ' HB3' ' A' ' 12' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.5 mtt . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.493 0.187 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.97 167.03 23.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 t -167.78 152.24 6.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 110.429 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.489 ' C ' ' CD2' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -153.95 137.03 15.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.489 ' CD2' ' C ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -169.38 -179.48 3.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.407 ' HB3' ' OH ' ' A' ' 58' ' ' TYR . 2.6 t80 -150.61 110.94 4.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.689 ' H ' ' ND2' ' A' ' 38' ' ' ASN . . . 39.04 56.72 2.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.486 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 4.7 t0 -58.37 152.97 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.475 ' CG2' HG21 ' A' ' 15' ' ' VAL . 88.2 t -91.19 -60.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.466 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 6.4 p30 -106.76 20.31 19.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 t70 50.8 54.46 11.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.07 -33.93 5.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.439 ' N ' ' OD2' ' A' ' 8' ' ' ASP . . . -172.37 -60.57 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' O ' ' OD2' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -156.5 -171.15 3.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.475 HG21 ' CG2' ' A' ' 9' ' ' VAL . 2.6 p -112.01 96.27 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -148.34 -172.28 4.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.421 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 11.3 t -45.37 -36.69 4.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 m -50.64 -40.39 53.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.466 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 83.2 m-20 -99.85 28.78 4.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.372 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -59.74 -37.91 80.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 20' ' ' ALA . 65.2 t -40.03 -60.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.472 ' HB3' ' CG1' ' A' ' 9' ' ' VAL . . . -66.15 -36.11 82.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.556 ' CD1' ' CG2' ' A' ' 47' ' ' VAL . 0.5 OUTLIER -55.62 -60.36 3.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.66 -41.88 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.2 -41.88 69.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 110.254 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.415 ' CD2' ' HG3' ' A' ' 46' ' ' ARG . 26.5 t80 -65.42 -45.96 81.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.39 -57.34 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 tt -48.42 -39.89 24.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HD3' ' N ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -176.34 -179.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.406 ' N ' ' HD3' ' A' ' 29' ' ' ARG . 89.5 p -107.9 115.29 29.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.051 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -160.07 -50.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.542 ' CD1' ' CG2' ' A' ' 34' ' ' ILE . 1.3 pp -59.9 148.56 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.295 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.1 p -89.77 121.14 31.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.542 ' CG2' ' CD1' ' A' ' 32' ' ' ILE . 0.8 OUTLIER -149.92 166.3 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -95.08 68.52 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.482 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 5.7 t -81.2 17.14 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 110.428 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -73.0 -45.97 54.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.689 ' ND2' ' H ' ' A' ' 7' ' ' GLY . 1.7 p-10 -120.45 16.46 12.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -83.88 -18.54 37.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.504 ' O ' ' CD1' ' A' ' 41' ' ' LEU . 1.5 t70 -113.28 141.38 47.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.259 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -140.97 20.68 2.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -151.17 21.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 55.58 44.87 25.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.29 -32.36 6.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.48 -49.53 0.84 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.491 ' HD3' ' CD1' ' A' ' 34' ' ' ILE . 31.4 mmm-85 -145.43 -92.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 0.762 . . . . 0.0 110.323 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.556 ' CG2' ' CD1' ' A' ' 23' ' ' LEU . 5.7 m -152.73 95.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -71.48 -47.03 58.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.39 -36.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.4 m -78.4 -34.69 47.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -89.76 -21.57 22.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.514 ' C ' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.43 -58.65 7.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.17 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -52.39 -62.28 5.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 111.045 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.465 ' CG2' HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -46.57 -40.05 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.575 0.809 . . . . 0.0 109.264 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.567 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -65.99 -57.21 8.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.556 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -69.2 0.54 4.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -92.75 -53.91 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.684 ' CE2' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -80.72 -36.68 31.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 111.056 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.684 HG22 ' CE2' ' A' ' 58' ' ' TYR . 1.3 pp -64.72 -11.21 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.91 -42.25 97.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.482 ' C ' ' H ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -161.58 -36.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.617 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -63.2 -1.21 0.95 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.627 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -21.37 129.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.243 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.627 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 13.6 t0 92.3 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 62' ' ' GLU . 99.1 m -56.54 -67.17 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.677 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 4.8 tt 54.36 89.11 0.11 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 59.28 5.19 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.451 1.764 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -38.93 133.38 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -112.44 161.7 16.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -87.19 132.74 33.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.457 1.098 . . . . 0.0 110.907 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.88 HD12 ' HB2' ' A' ' 8' ' ' ASP . 2.5 pt? -167.49 166.97 14.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.841 ' CE1' HD22 ' A' ' 41' ' ' LEU . 54.4 t80 -148.5 101.86 3.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 55.97 45.88 85.64 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.88 ' HB2' HD12 ' A' ' 5' ' ' LEU . 2.1 t0 -59.09 151.49 22.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.401 0.706 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.421 HG23 ' HA ' ' A' ' 15' ' ' VAL . 14.1 t -96.86 -56.99 4.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -110.09 23.7 13.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.06 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 51.12 46.7 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.84 -46.3 4.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -163.46 -51.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' CG ' ' OD1' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -172.8 -179.76 2.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.727 ' O ' HD22 ' A' ' 55' ' ' LEU . 2.7 p -99.77 106.26 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.436 ' OD1' ' CG ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -151.54 -169.52 3.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t -49.82 -22.44 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.3 m -67.74 -47.66 68.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -92.36 26.13 2.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.453 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -64.39 -37.88 89.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -40.2 -53.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.242 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 32' ' ' ILE . . . -73.6 -31.89 63.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.95 HD11 HG22 ' A' ' 47' ' ' VAL . 2.8 tt -53.78 -60.18 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.723 ' O ' HD13 ' A' ' 28' ' ' LEU . 64.1 tttt -51.71 -43.25 62.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -26.52 66.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.576 ' CE1' ' HD2' ' A' ' 46' ' ' ARG . 37.1 t80 -82.8 -62.39 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.7 t -44.93 -35.07 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.723 HD13 ' O ' ' A' ' 24' ' ' LYS . 3.6 mp -69.17 -52.81 24.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.43 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -157.47 165.67 35.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.353 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -97.91 64.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.046 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.86 -49.27 1.1 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.544 HD13 ' HB1' ' A' ' 22' ' ' ALA . 1.7 pt -59.93 166.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 0.73 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.43 119.87 37.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.495 ' CG2' HD12 ' A' ' 32' ' ' ILE . 5.6 pt -139.33 163.63 25.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.444 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 2.1 m-80 -69.99 61.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.458 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -55.78 -17.47 6.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.371 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' THR . 2.8 m-20 -39.37 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.515 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 1.9 p-10 -112.39 38.94 2.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.458 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -78.08 -55.47 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 5.4 t70 -86.81 145.33 26.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.841 HD22 ' CE1' ' A' ' 6' ' ' TYR . 4.9 mp -145.96 22.28 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.406 ' CG ' ' OD1' ' A' ' 51' ' ' ASP . 1.2 m120 -154.79 24.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 52.32 36.9 20.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.42 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 27.7 m-20 -114.32 -33.01 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.429 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 121.11 -52.27 0.75 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.158 . . . . 0.0 111.047 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.576 ' HD2' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -149.94 -93.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 110.271 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.95 HG22 HD11 ' A' ' 23' ' ' LEU . 16.6 m -141.65 79.57 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 49' ' ' SER . 9.9 p30 -61.11 -38.75 87.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER 165.42 -30.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.05 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.4 m -78.47 -40.4 35.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.803 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -79.95 -43.11 22.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.438 ' CA ' ' HB ' ' A' ' 47' ' ' VAL . 1.5 tt -39.16 -61.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -38.22 -74.22 0.12 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -43.57 -49.58 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 0.722 . . . . 0.0 109.246 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.875 HD13 HG12 ' A' ' 47' ' ' VAL . 0.6 OUTLIER -53.65 -61.5 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.474 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 11.4 ptmt -61.9 -8.24 4.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -91.47 -45.54 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 1.069 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -90.17 -39.03 13.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.936 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.3 pp -59.49 -16.42 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.615 HD23 ' HE3' ' A' ' 61' ' ' LYS . 10.0 tp -54.54 -34.6 62.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.615 ' HE3' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -177.14 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.8 mt-10 -51.87 -18.37 1.29 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.583 1.177 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.503 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -32.83 100.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.4 t0 167.32 -31.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.6 t -134.15 -43.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.069 HD12 ' CE2' ' A' ' 58' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -162.84 136.63 6.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.371 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 38' ' ' ASN . 16.4 t80 -149.63 107.5 3.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.647 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 84.36 59.46 2.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.552 1.157 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 13' ' ' GLY . 0.8 OUTLIER -98.19 152.57 19.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.44 0.73 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.55 HG23 ' CZ ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -96.11 -47.04 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.464 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 0.8 OUTLIER -111.89 16.6 20.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.5 t70 49.11 60.45 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.182 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.478 ' CG ' ' N ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -120.1 -49.46 2.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.506 ' N ' ' OD2' ' A' ' 8' ' ' ASP . . . -150.55 -55.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.612 ' CE ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER 179.55 159.01 0.69 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.421 0.718 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 7' ' ' GLY . 14.1 p -75.79 111.91 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -145.06 -170.8 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.385 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 t -49.91 -22.28 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.4 m -77.13 -37.03 54.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.453 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.41 ' OD2' ' HB ' ' A' ' 9' ' ' VAL . 6.1 m-20 -83.99 7.55 18.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.377 1.048 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.07 -20.78 62.99 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.0 t -68.28 -58.89 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 109.36 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.513 ' O ' HG21 ' A' ' 32' ' ' ILE . . . -63.44 -33.67 76.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.993 HD13 HG22 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -68.38 -56.97 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.249 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.16 -26.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.598 ' HB3' HD12 ' A' ' 32' ' ' ILE . 1.6 mpt_? -88.31 -38.44 15.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.787 ' HB2' HG22 ' A' ' 32' ' ' ILE . 33.1 t80 -70.62 -22.38 62.54 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 23' ' ' LEU . 24.6 t -90.38 -42.44 14.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.64 -48.86 15.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.602 1.189 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ARG . 3.4 tmt_? -83.48 160.07 21.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.53 -74.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.04 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.83 86.45 0.12 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.787 HG22 ' HB2' ' A' ' 26' ' ' TYR . 1.7 tt -59.51 153.35 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.2 m -60.78 116.11 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.03 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.819 HD12 ' NH1' ' A' ' 46' ' ' ARG . 6.0 pt -153.25 -179.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.408 1.068 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.44 56.14 0.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.753 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 5.7 t -59.66 -14.42 13.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' THR . 3.5 m-20 -39.24 -63.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -120.78 45.96 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.753 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -107.34 -56.55 2.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -72.55 121.09 19.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.432 ' CD2' ' OH ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -126.54 6.99 6.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.405 ' OD1' ' OD1' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -138.66 14.82 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 53.86 36.15 23.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.41 ' OD2' ' OD1' ' A' ' 51' ' ' ASP . 2.2 p30 -112.88 -35.33 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.412 ' C ' ' CG ' ' A' ' 46' ' ' ARG . . . 147.78 -72.56 0.31 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.819 ' NH1' HD12 ' A' ' 34' ' ' ILE . 2.2 mtp85 -154.39 -70.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.993 HG22 HD13 ' A' ' 23' ' ' LEU . 16.5 m -139.25 71.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.9 OUTLIER -59.15 -40.63 86.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 1.4 m 164.3 -31.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 m -85.89 -26.03 25.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.442 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -86.08 -40.24 15.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -38.53 -46.2 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -59.28 -80.21 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.479 HG22 ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -40.16 -39.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 109.379 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.796 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -60.75 -60.38 3.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.505 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -68.89 -5.48 21.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -91.86 -55.92 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 1.157 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -71.06 -31.9 68.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.864 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.5 pp -76.3 -1.87 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 tp -69.55 -33.2 72.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -175.81 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 63' ' ' ILE . 4.2 mt-10 -53.95 -17.14 2.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.756 HD12 ' HE1' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -34.55 109.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER 153.79 -23.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.19 -48.91 0.55 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.157 HD12 ' CE2' ' A' ' 58' ' ' TYR . 7.1 tt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.647 HD12 ' OD2' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -170.45 153.26 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.739 ' OH ' HD22 ' A' ' 41' ' ' LEU . 50.1 t80 -150.12 101.98 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.726 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 95.92 52.42 1.65 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.093 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.647 ' OD2' HD12 ' A' ' 5' ' ' LEU . 1.9 t0 -98.43 150.22 21.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.933 ' CG2' HG23 ' A' ' 15' ' ' VAL . 66.2 t -100.17 -59.74 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.064 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -104.04 22.04 15.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.087 . . . . 0.0 109.391 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.625 ' OD1' HD11 ' A' ' 5' ' ' LEU . 9.6 t0 49.9 45.94 24.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.6 -45.55 5.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.8 -52.92 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' CD ' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -173.76 170.45 3.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.249 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.933 HG23 ' CG2' ' A' ' 9' ' ' VAL . 13.7 p -91.26 110.82 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.459 ' ND2' ' CD ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -152.96 -172.47 4.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -45.52 -25.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.41 ' N ' ' C ' ' A' ' 16' ' ' ASN . 75.8 m -69.06 -43.61 74.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.451 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.438 ' HB3' HG21 ' A' ' 9' ' ' VAL . 87.4 m-20 -92.23 22.19 4.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.72 84.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.9 t -46.82 -60.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.747 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -65.89 -56.44 11.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.971 HD12 ' NH1' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -40.74 -57.91 1.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -44.47 20.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.505 ' O ' ' CD ' ' A' ' 29' ' ' ARG . 5.3 mtt180 -69.3 -28.1 65.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.708 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 5.0 t80 -80.79 -38.55 28.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.521 HG23 HH22 ' A' ' 46' ' ' ARG . 0.3 OUTLIER -78.11 -36.6 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 28' ' ' LEU . 5.3 tt -75.82 -40.92 54.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -150.7 -170.44 3.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.155 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.3 p -132.09 58.42 1.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -100.91 -56.38 0.9 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.658 ' CD1' HG23 ' A' ' 34' ' ' ILE . 2.5 pp -59.74 178.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.785 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -136.83 120.99 17.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.669 HG21 HG13 ' A' ' 9' ' ' VAL . 5.4 pt -129.99 168.99 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -69.87 61.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.376 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -58.01 -24.87 60.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.7 OUTLIER -37.35 -68.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.529 ' ND2' ' CE2' ' A' ' 6' ' ' TYR . 9.2 t-20 -116.54 66.52 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.438 ' HB1' ' HG3' ' A' ' 46' ' ' ARG . . . -116.49 -67.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.962 ' O ' HD23 ' A' ' 41' ' ' LEU . 47.4 t0 -59.64 149.94 28.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.962 HD23 ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -148.45 -45.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.426 ' CG ' ' OD1' ' A' ' 51' ' ' ASP . 2.8 m120 -85.11 3.98 36.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 75.01 36.21 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 110.362 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' A' ' 51' ' ' ASP . 5.2 p-10 -115.49 -33.8 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.59 -66.35 0.5 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.971 ' NH1' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -145.0 -89.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 0.759 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.734 ' CG2' HD13 ' A' ' 23' ' ' LEU . 3.6 m -135.0 72.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -59.5 -40.83 88.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.66 ' HA ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER 166.31 -30.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.9 m -82.87 -36.86 25.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.424 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.426 ' OD1' ' CG ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -74.72 -42.45 58.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -49.31 -44.46 44.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.82 -26.35 17.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.471 HG22 HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -90.19 -37.49 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.794 HD13 ' CE2' ' A' ' 58' ' ' TYR . 1.6 mm? -61.34 -61.26 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.495 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -60.95 -6.31 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 0.0 109.345 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' H ' ' C ' ' A' ' 55' ' ' LEU . 3.9 ttt180 -89.49 -49.54 6.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.241 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.832 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -91.39 -42.71 10.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.832 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.4 pp -50.25 -22.25 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -45.79 -60.33 2.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -179.36 38.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -131.7 5.85 4.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.561 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -41.01 156.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 1.6 t0 151.51 -63.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.464 ' O ' ' O ' ' A' ' 66' ' ' LEU . 1.1 t -134.73 5.76 3.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.443 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.92 ' O ' HD23 ' A' ' 66' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.401 1.063 . . . . 0.0 109.254 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.8 mttm . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.545 HD23 ' N ' ' A' ' 5' ' ' LEU . 1.2 pt? -174.09 147.84 1.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.607 ' CE1' ' OD1' ' A' ' 38' ' ' ASN . 45.7 t80 -150.35 116.89 5.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.716 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 75.66 59.27 3.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -90.28 149.98 22.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.921 ' CG2' HG23 ' A' ' 15' ' ' VAL . 74.7 t -99.92 -59.61 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.444 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 4.5 p30 -105.43 27.41 8.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 50.04 45.84 25.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -100.58 -54.64 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -159.67 -42.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.28 -172.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.921 HG23 ' CG2' ' A' ' 9' ' ' VAL . 11.1 p -111.39 103.36 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.691 ' CG ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -145.35 -160.51 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.218 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.9 t -60.11 -15.13 20.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 m -75.34 -42.12 55.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.467 1.104 . . . . 0.0 110.408 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.444 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.2 m-20 -101.8 26.3 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.31 -23.86 65.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.2 t -55.52 -60.45 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.547 1.154 . . . . 0.0 109.221 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.584 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -68.28 -27.34 66.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.82 HD21 ' HB2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -60.69 -60.22 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -49.13 -40.07 31.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -29.81 70.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.24 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.771 ' OH ' HG21 ' A' ' 36' ' ' THR . 1.8 t80 -78.89 -50.18 11.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 111.07 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 23' ' ' LEU . 11.9 t -50.66 -48.94 26.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.361 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -39.71 81.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.395 1.059 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.434 ' C ' ' CD ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 173.63 172.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.1 m -86.79 108.05 18.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.82 -66.13 0.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.558 HD13 ' H ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -73.46 177.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.7 p -115.03 119.97 38.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.033 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.733 HG21 HG13 ' A' ' 9' ' ' VAL . 6.7 pt -138.08 174.22 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -93.9 49.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.415 1.072 . . . . 0.0 109.246 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.779 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -44.9 -25.18 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.37 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.86 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.607 ' OD1' ' CE1' ' A' ' 6' ' ' TYR . 6.6 t-20 -63.84 -25.08 68.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.779 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -64.41 -55.35 21.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.778 ' O ' HD23 ' A' ' 41' ' ' LEU . 11.3 t0 -64.75 135.72 56.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 40' ' ' ASP . 34.4 mt -143.59 14.74 1.78 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 0.3 OUTLIER -152.81 20.79 0.6 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 38.1 mt-10 61.82 49.01 5.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.428 ' CB ' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -124.34 -37.38 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 135.49 -60.56 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.418 1.074 . . . . 0.0 111.03 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.82 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -140.51 -73.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 0.781 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.438 HG13 ' C ' ' A' ' 46' ' ' ARG . 4.8 m -153.52 146.9 14.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.428 ' OD1' ' CB ' ' A' ' 44' ' ' ASP . 33.5 m120 -120.43 -61.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.723 ' HA ' HD21 ' A' ' 52' ' ' LEU . 14.5 p -159.23 -40.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.115 . . . . 0.0 110.08 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 m -85.31 -27.83 25.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.449 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.649 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -70.9 -60.4 2.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.337 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.723 HD21 ' HA ' ' A' ' 49' ' ' SER . 3.1 pp -41.93 -46.42 4.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.65 ' N ' HD12 ' A' ' 52' ' ' LEU . . . -55.0 -75.6 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -45.56 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.865 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -58.06 -55.81 30.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.55 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -64.0 -6.53 6.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.02 -45.35 8.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.953 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -88.72 -30.79 18.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.953 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -74.59 -1.78 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -67.58 -50.14 59.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.243 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.443 ' CD ' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER 178.89 -32.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.226 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -67.45 -1.53 4.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.09 . . . . 0.0 110.243 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.506 HD12 ' HE1' ' A' ' 58' ' ' TYR . 6.8 tt -35.02 135.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.665 ' O ' HG22 ' A' ' 65' ' ' THR . 6.2 m-20 176.65 64.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 64' ' ' ASP . 0.6 OUTLIER 83.52 7.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.437 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.924 HD12 ' CE2' ' A' ' 58' ' ' TYR . 3.8 tt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.546 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -174.72 149.52 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -148.43 136.79 21.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 58.78 49.44 77.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.135 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.454 ' O ' ' CG ' ' A' ' 35' ' ' ASN . 1.8 t0 -85.15 123.4 30.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.805 HG13 ' CG2' ' A' ' 34' ' ' ILE . 3.3 t -76.56 -61.2 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -103.13 29.3 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 48.04 42.5 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -96.42 -52.21 4.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -163.69 -47.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.564 1.165 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.657 ' HE2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -175.91 176.98 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 0.778 . . . . 0.0 109.346 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.718 HG21 ' HG2' ' A' ' 46' ' ' ARG . 7.2 p -94.48 108.06 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.447 ' ND2' ' CD ' ' A' ' 14' ' ' LYS . 1.6 p30 -148.19 -172.27 4.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.8 t -50.12 -22.24 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.402 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 99.1 m -70.23 -44.58 68.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 14' ' ' LYS . 89.4 m-20 -96.6 24.63 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 21' ' ' VAL . . . -65.23 -41.48 94.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' ALA . 2.8 t -39.62 -61.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.543 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -63.03 -41.38 99.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.863 HD11 HG22 ' A' ' 47' ' ' VAL . 2.1 tt -50.39 -60.28 3.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.374 1.046 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -42.15 -47.37 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -41.33 97.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.378 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.441 ' CD2' ' HD3' ' A' ' 46' ' ' ARG . 19.7 t80 -58.28 -54.22 49.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.422 ' H ' HG23 ' A' ' 27' ' ' VAL . 3.6 t -60.41 -45.77 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.09 -47.27 78.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.9 -176.37 3.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.246 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.45 81.3 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.06 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.94 -65.29 0.35 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.529 ' C ' HD12 ' A' ' 32' ' ' ILE . 2.7 pp -59.37 172.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 0.793 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.76 141.31 51.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.805 ' CG2' HG13 ' A' ' 9' ' ' VAL . 1.5 pt -150.54 178.39 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -81.38 43.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.651 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -39.38 -29.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.441 ' N ' ' C ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -43.38 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -100.4 42.15 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.651 ' HB2' ' HA ' ' A' ' 36' ' ' THR . . . -74.66 -97.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.607 ' O ' HD13 ' A' ' 41' ' ' LEU . 4.0 t0 -77.83 -175.65 4.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 40' ' ' ASP . 2.5 mm? -128.68 -47.21 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.549 ' ND2' ' OD1' ' A' ' 51' ' ' ASP . 5.6 m-80 -61.52 -16.94 52.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 6.7 tt0 80.58 49.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.4 -32.82 5.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.06 -66.99 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.718 ' HG2' HG21 ' A' ' 15' ' ' VAL . 6.9 mtp180 -152.92 -85.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 0.0 110.356 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.863 HG22 HD11 ' A' ' 23' ' ' LEU . 15.4 m -135.79 75.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 49' ' ' SER . 15.2 p30 -60.24 -31.29 70.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 158.75 -26.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.577 1.173 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.0 m -80.67 -35.62 33.5 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.677 ' HB3' HD23 ' A' ' 55' ' ' LEU . 4.3 m-20 -89.84 -24.61 21.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -40.33 -60.67 1.04 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -62.34 -49.32 75.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.469 HG23 HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -51.4 -41.58 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.273 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.78 ' O ' HG23 ' A' ' 59' ' ' ILE . 3.2 mm? -65.28 -61.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.408 ' CG ' ' HA2' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -61.98 -7.83 4.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.3 OUTLIER -89.51 -58.31 2.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.717 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -74.85 -24.19 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.78 HG23 ' O ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -90.14 -8.29 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.461 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -56.76 -33.62 66.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.461 ' CD ' ' HB3' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -177.41 -35.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -60.98 -7.9 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.556 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -27.82 109.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 109.224 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.436 ' N ' HD12 ' A' ' 63' ' ' ILE . 0.1 OUTLIER 161.42 -27.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 t -162.12 133.99 5.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.588 ' HG ' ' CD2' ' A' ' 58' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.4 mptt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mp -118.77 148.14 43.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.668 ' CE2' HD22 ' A' ' 41' ' ' LEU . 62.0 t80 -116.96 96.54 5.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.502 ' HA3' ' C ' ' A' ' 38' ' ' ASN . . . 30.04 55.74 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.484 ' CB ' ' HA ' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -56.39 150.97 13.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 109.234 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.949 HG23 HG23 ' A' ' 15' ' ' VAL . 2.0 t -79.43 -59.51 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.403 ' OD1' ' OD2' ' A' ' 19' ' ' ASP . 6.0 p30 -105.52 17.64 23.53 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.484 ' HA ' ' CB ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER 48.64 54.37 10.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.51 ' CG ' ' N ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -120.69 -50.49 2.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.51 ' N ' ' CG ' ' A' ' 12' ' ' ASP . . . -138.26 -62.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.43 164.26 3.11 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.949 HG23 HG23 ' A' ' 9' ' ' VAL . 7.1 p -80.77 90.96 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.644 ' ND2' HD13 ' A' ' 59' ' ' ILE . 16.0 p-10 -147.0 -174.25 4.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 t -46.62 -39.38 11.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -54.01 -25.37 20.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' OD2' ' OD1' ' A' ' 10' ' ' ASN . 1.4 m-20 -110.48 21.75 16.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 24' ' ' LYS . . . -59.93 -20.52 57.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.13 -59.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.223 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.89 ' HB3' ' CG1' ' A' ' 9' ' ' VAL . . . -69.43 -50.88 41.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.697 HD22 HG13 ' A' ' 47' ' ' VAL . 3.8 tp -47.58 -56.46 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 13.8 ttpt -43.8 -46.9 7.97 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.478 1.111 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -34.78 78.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.658 ' CE1' ' NE ' ' A' ' 46' ' ' ARG . 8.3 t80 -71.26 -42.67 68.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.588 HG22 HH11 ' A' ' 46' ' ' ARG . 47.0 t -67.38 -38.52 80.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.0 mt -65.59 -40.54 92.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -165.43 161.14 18.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.281 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.68 73.23 6.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.068 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.18 -54.82 0.23 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.559 HD13 ' N ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -60.1 154.67 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.559 ' N ' HD13 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -107.68 126.97 53.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.071 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.569 HD11 ' HG2' ' A' ' 46' ' ' ARG . 9.1 pt -139.99 169.61 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.227 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -87.33 47.37 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.764 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 14.8 t -62.82 -8.65 7.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.24 -45.32 93.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.502 ' C ' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -121.1 34.22 5.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.764 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -104.66 -73.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.7 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -68.53 126.74 30.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.18 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 40' ' ' ASP . 4.7 mp -124.53 15.64 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.387 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -124.77 0.39 8.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 2.8 tt0 68.96 46.29 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.32 -36.84 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.437 ' HA3' ' NE ' ' A' ' 46' ' ' ARG . . . 148.29 -72.62 0.3 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.658 ' NE ' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -146.14 -63.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.773 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.697 HG13 HD22 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -162.97 92.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -79.53 -46.98 16.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.169 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 81.9 p 179.43 -36.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.952 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 m -67.71 -46.76 71.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.774 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.2 m-20 -65.65 -46.42 79.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.675 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -44.3 -59.76 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.63 -75.17 0.14 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -43.21 -47.06 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.774 HD12 ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -52.4 -60.2 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.646 ' O ' HD13 ' A' ' 60' ' ' LEU . 10.1 tttt -57.74 -10.48 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.431 ' N ' ' C ' ' A' ' 55' ' ' LEU . 0.6 OUTLIER -90.04 -46.48 8.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 1.158 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -90.17 -39.67 12.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.846 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.3 pp -59.85 -21.85 22.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.407 1.067 . . . . 0.0 109.24 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.646 HD13 ' O ' ' A' ' 56' ' ' LYS . 0.9 OUTLIER -49.26 -54.52 16.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -174.4 34.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.9 mt-10 -121.61 -6.74 9.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.256 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.502 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 1.9 tp -40.19 116.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 5.9 m-20 156.35 -25.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.02 -46.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.516 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.158 HD12 ' CE2' ' A' ' 58' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.665 HD12 ' OD2' ' A' ' 8' ' ' ASP . 2.3 pt? -167.17 138.0 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -136.34 128.29 29.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.673 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 64.2 57.15 14.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.095 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.665 ' OD2' HD12 ' A' ' 5' ' ' LEU . 3.8 t0 -91.86 145.54 24.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 0.72 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.656 ' CG2' HG23 ' A' ' 15' ' ' VAL . 1.4 t -94.33 -56.37 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -102.2 17.6 22.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 49.35 48.43 21.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.1 -47.39 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.73 -57.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.399 1.062 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.79 160.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.969 ' O ' HD22 ' A' ' 55' ' ' LEU . 10.1 p -77.72 112.97 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 19' ' ' ASP . 7.3 p-10 -151.62 -174.0 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.369 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -48.45 -23.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.7 m -73.28 -31.56 64.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.386 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 16' ' ' ASN . 0.6 OUTLIER -102.04 16.95 24.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.438 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -59.43 -41.18 88.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' ALA . 95.7 t -39.74 -60.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.518 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . . . -67.89 -29.86 69.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.6 tp -58.57 -60.25 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -45.74 -45.14 14.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -62.87 -34.39 77.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.651 ' CD1' ' NE ' ' A' ' 46' ' ' ARG . 10.9 t80 -80.05 -32.29 39.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 23' ' ' LEU . 21.8 t -71.47 -49.73 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.96 -41.89 64.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.568 1.168 . . . . 0.0 109.345 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.86 172.25 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.75 95.13 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.032 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.64 -44.1 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 19.3 tt -59.52 163.72 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.527 0.781 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.74 124.93 53.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pt -150.01 158.28 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.73 55.59 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 t -68.29 -8.04 36.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.02 -59.07 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.365 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 7' ' ' GLY . 3.2 p-10 -115.96 63.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.462 ' HA ' ' CA ' ' A' ' 7' ' ' GLY . . . -122.79 -84.82 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.23 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.556 ' O ' HD12 ' A' ' 41' ' ' LEU . 5.3 t70 -41.42 133.53 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -139.26 13.82 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.265 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.464 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 0.3 OUTLIER -143.96 15.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 34.2 mt-10 62.78 50.49 3.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.426 ' OD2' ' HB2' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -125.58 -36.51 2.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.448 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 127.8 -58.04 0.7 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.717 HH12 HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -145.48 -88.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 0.748 . . . . 0.0 110.314 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.76 ' CG1' HD13 ' A' ' 55' ' ' LEU . 27.4 m -139.11 102.22 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -78.96 -39.83 33.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.61 -36.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -81.48 -60.72 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.38 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.724 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -43.65 -53.91 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -39.54 -47.45 1.9 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.71 -53.14 47.55 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.527 HG21 HD21 ' A' ' 66' ' ' LEU . 10.9 mm -58.33 -44.98 89.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 0.732 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.969 HD22 ' O ' ' A' ' 15' ' ' VAL . 1.1 mp -56.96 -61.49 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.762 ' O ' HD13 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -59.87 -8.4 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.431 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -91.42 -50.79 5.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.377 1.048 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 1.032 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -86.75 -25.51 24.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.939 HG22 ' CE1' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -81.42 -14.77 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.762 HD13 ' O ' ' A' ' 56' ' ' LYS . 5.4 tp -49.99 -39.72 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.699 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -179.28 -34.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.442 1.089 . . . . 0.0 109.363 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.653 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.3 tt0 -55.46 -13.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.345 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.699 HG22 ' O ' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -16.0 110.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.445 ' N ' HD12 ' A' ' 63' ' ' ILE . 6.9 p-10 -176.81 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.421 ' N ' ' OD1' ' A' ' 64' ' ' ASP . 15.4 t -170.32 157.37 6.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.032 HD12 ' CE2' ' A' ' 58' ' ' TYR . 6.7 tt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 5' ' ' LEU . 1.6 pt? -174.23 130.58 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.592 ' CE1' ' OD1' ' A' ' 38' ' ' ASN . 28.3 t80 -139.45 110.58 6.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.392 1.058 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 83.79 48.2 5.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 13' ' ' GLY . 2.9 t0 -86.33 121.14 28.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 0.726 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.799 HG11 ' HB3' ' A' ' 22' ' ' ALA . 4.8 t -73.44 -61.23 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 5.6 p30 -103.56 30.44 5.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.601 1.188 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.428 ' HA ' ' CG ' ' A' ' 8' ' ' ASP . 2.8 m-20 47.62 46.58 17.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -101.44 -54.89 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.461 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -160.73 -47.1 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.43 -176.84 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.504 HG23 ' CG2' ' A' ' 9' ' ' VAL . 7.3 p -104.58 102.98 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.437 ' OD1' HG21 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -146.82 -163.02 1.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.8 t -58.0 -17.32 16.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.7 m -72.22 -48.63 41.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.446 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.5 m-20 -93.56 23.12 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.426 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -59.51 -36.66 76.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.573 HG23 ' H ' ' A' ' 22' ' ' ALA . 12.1 m -45.76 -58.59 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.799 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -69.63 -22.36 63.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.808 HD11 HG22 ' A' ' 47' ' ' VAL . 1.5 tp -66.77 -59.42 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.37 -43.29 16.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -32.37 72.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 3.7 t80 -85.97 -33.63 21.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.88 -46.09 94.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -51.47 61.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -155.49 148.42 24.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.4 t -81.92 70.67 8.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.976 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.04 -37.5 1.03 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.511 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 15.1 tt -59.84 163.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 0.789 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.1 119.21 38.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.961 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.916 HD11 ' HD2' ' A' ' 46' ' ' ARG . 4.2 pt -151.03 171.38 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.176 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.664 ' ND2' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -83.87 41.54 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.846 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 1.2 t -38.3 -29.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 110.426 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 35' ' ' ASN . 2.6 m-20 -56.74 -67.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.592 ' OD1' ' CE1' ' A' ' 6' ' ' TYR . 8.0 t30 -75.39 -3.66 34.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.846 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -85.31 -66.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 46.5 t0 -59.7 146.53 40.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.433 ' CD2' ' OH ' ' A' ' 6' ' ' TYR . 9.9 mt -146.7 -49.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 39.6 p-10 -79.99 0.29 32.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 1.7 tt0 80.23 41.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -114.25 -34.83 5.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.41 ' C ' ' HD3' ' A' ' 46' ' ' ARG . . . 134.74 -57.47 0.69 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.445 1.091 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.916 ' HD2' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -148.42 -80.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 0.0 110.343 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.808 HG22 HD11 ' A' ' 23' ' ' LEU . 13.1 m -150.67 78.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.402 1.064 . . . . 0.0 109.25 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 49' ' ' SER . 3.0 p-10 -63.3 -29.89 71.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 159.15 -26.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.055 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.2 m -81.48 -44.28 17.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.92 -32.02 45.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.651 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -41.18 -52.57 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -57.96 -68.99 1.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -40.04 -45.27 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.818 ' O ' HG23 ' A' ' 59' ' ' ILE . 2.1 mm? -56.84 -61.67 2.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.51 ' O ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -66.55 -3.31 6.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -90.31 -47.41 7.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.964 ' CD2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -91.26 -40.61 11.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.874 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.1 pp -58.08 -17.74 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 56' ' ' LYS . 2.7 tp -52.41 -59.51 4.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.92 34.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' ILE . 15.1 mt-10 -124.36 -0.11 8.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.506 HD12 ' HE1' ' A' ' 58' ' ' TYR . 0.2 OUTLIER -39.53 121.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 169.2 -54.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 t -123.98 -37.81 2.54 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.964 HD12 ' CD2' ' A' ' 58' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.598 1.186 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.528 ' C ' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.609 ' HA ' HD11 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -178.94 170.65 1.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.893 ' CD2' HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -137.38 113.76 10.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.579 ' H ' ' ND2' ' A' ' 38' ' ' ASN . . . 34.15 58.97 0.63 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.432 1.082 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.534 ' HB2' HD12 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -57.16 151.63 15.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.984 ' CG2' HG23 ' A' ' 15' ' ' VAL . 57.9 t -88.87 -54.89 7.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.432 ' C ' ' CG ' ' A' ' 11' ' ' ASP . 2.1 p30 -116.12 24.62 11.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.432 ' CG ' ' C ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER 48.88 52.62 13.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.64 -33.06 6.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.416 ' C ' ' HG3' ' A' ' 14' ' ' LYS . . . -174.34 -59.69 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.45 ' CD ' ' OD1' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -167.19 168.43 13.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.347 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.984 HG23 ' CG2' ' A' ' 9' ' ' VAL . 9.5 p -86.39 111.71 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 0.2 OUTLIER -160.43 -174.2 4.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.373 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.1 t -47.47 -31.22 4.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.983 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.1 m -57.61 -25.88 60.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.436 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -114.41 23.15 13.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.64 -16.9 29.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.242 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.8 t -62.95 -60.34 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.903 ' HB1' HD13 ' A' ' 32' ' ' ILE . . . -69.24 -51.26 39.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.722 HD13 HG22 ' A' ' 47' ' ' VAL . 1.3 tp -43.8 -57.04 3.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.71 -45.87 29.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -26.54 67.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.679 ' CE1' ' NH1' ' A' ' 46' ' ' ARG . 1.5 t80 -77.35 -59.41 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.6 t -49.98 -41.24 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.225 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -48.28 75.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -162.05 163.33 28.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.1 p -95.99 109.63 21.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.05 -59.9 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.451 1.094 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.903 HD13 ' HB1' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -60.0 158.11 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.59 119.47 39.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.894 HD11 ' HD3' ' A' ' 46' ' ' ARG . 4.2 pt -136.94 176.61 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 8' ' ' ASP . 1.1 m120 -93.71 60.65 3.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.484 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 2.9 t -68.93 -7.48 35.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.413 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.56 -65.47 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.579 ' ND2' ' H ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -105.95 42.25 1.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.484 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -94.58 -86.47 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.78 ' O ' HD13 ' A' ' 41' ' ' LEU . 4.0 t70 -77.13 143.89 38.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.1 mm? -125.63 35.37 4.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.407 ' OD1' ' OD1' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -138.33 10.47 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.421 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 0.7 OUTLIER 62.36 50.68 3.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.473 ' CB ' ' OD1' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -124.03 -38.44 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.49 ' CA ' ' NH1' ' A' ' 46' ' ' ARG . . . 147.62 -73.54 0.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.575 1.172 . . . . 0.0 111.014 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.894 ' HD3' HD11 ' A' ' 34' ' ' ILE . 2.0 mtm-85 -137.21 -83.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.722 HG22 HD13 ' A' ' 23' ' ' LEU . 20.8 m -141.03 120.54 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.473 ' OD1' ' CB ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -99.82 -44.68 5.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.1 t 179.44 -36.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.531 1.144 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.4 m -75.94 -38.79 57.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 110.384 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 52' ' ' LEU . 1.5 m-20 -67.14 -58.48 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -39.18 -42.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.29 -70.44 0.97 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.461 HG22 ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -52.82 -39.56 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.821 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -60.26 -59.39 5.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -61.3 -8.18 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.405 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -90.45 -48.7 6.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 1.203 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -87.46 -40.02 14.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.943 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.3 pp -57.94 -17.26 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -32.0 62.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.78 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.488 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 mt-10 -54.57 -15.87 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.075 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.691 HD12 ' HE1' ' A' ' 58' ' ' TYR . 0.5 OUTLIER -33.09 110.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.44 ' OD1' ' CE ' ' A' ' 4' ' ' LYS . 2.0 t70 166.28 -54.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 t -118.46 -34.15 4.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.203 HD12 ' CE2' ' A' ' 58' ' ' TYR . 1.2 tt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.666 HD23 ' N ' ' A' ' 5' ' ' LEU . 1.4 pt? -176.24 154.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.972 ' CE1' HD21 ' A' ' 41' ' ' LEU . 2.4 t80 -150.36 124.99 9.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.39 1.056 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.65 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 63.73 61.79 5.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.579 1.175 . . . . 0.0 111.024 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.78 150.15 21.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 109.375 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.877 ' CG2' HG23 ' A' ' 15' ' ' VAL . 84.4 t -99.22 -56.04 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.375 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.42 ' O ' ' CG ' ' A' ' 11' ' ' ASP . 1.4 p30 -108.01 25.18 11.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 10' ' ' ASN . 3.8 p-10 48.76 41.48 18.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.33 -51.8 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.93 -48.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.437 ' CD ' ' HB ' ' A' ' 59' ' ' ILE . 0.4 OUTLIER 179.59 168.08 1.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 0.754 . . . . 0.0 109.236 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.877 HG23 ' CG2' ' A' ' 9' ' ' VAL . 14.7 p -85.23 110.14 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.456 HD22 ' N ' ' A' ' 16' ' ' ASN . 0.4 OUTLIER -149.55 -173.96 4.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 t -48.56 -23.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.2 m -69.82 -42.28 73.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 110.412 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -92.48 25.45 3.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.452 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -62.35 -38.74 90.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.24 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ALA . 71.1 t -40.67 -60.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.753 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -68.89 -30.53 69.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.796 HD11 HG22 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -57.89 -60.37 3.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -46.11 -47.23 17.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.406 1.066 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 29' ' ' ARG . 1.1 mtt-85 -62.78 -32.73 73.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 2.9 t80 -73.14 -45.73 55.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 23' ' ' LEU . 20.2 t -59.63 -46.71 92.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 109.328 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.63 -45.13 92.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -172.91 178.57 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.267 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.59 96.01 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -134.85 -50.06 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.724 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 1.1 pt -59.84 157.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m -101.13 120.97 40.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.688 ' CG2' HD12 ' A' ' 32' ' ' ILE . 2.9 pt -141.39 178.7 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.84 64.79 1.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.412 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 5.5 t -66.98 -11.08 55.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' THR . 2.8 m-20 -39.67 -72.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.18 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.406 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.8 OUTLIER -110.65 55.53 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' HA ' ' CA ' ' A' ' 7' ' ' GLY . . . -109.25 -73.03 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -54.4 138.18 40.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.972 HD21 ' CE1' ' A' ' 6' ' ' TYR . 3.4 mt -134.46 -46.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.47 ' ND2' ' OD2' ' A' ' 44' ' ' ASP . 47.8 p-10 -81.75 5.35 18.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 66.7 36.42 4.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.47 ' OD2' ' ND2' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -113.86 -31.97 6.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 143.82 -68.21 0.43 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -147.71 -77.76 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 0.79 . . . . 0.0 110.235 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.893 ' CG1' HD13 ' A' ' 55' ' ' LEU . 1.8 m -140.71 75.93 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.73 -46.9 87.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.89 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.0 m -86.65 -37.91 17.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.142 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.492 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -65.51 -49.87 67.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.492 HD11 ' HD2' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -46.14 -49.38 16.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.419 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -52.97 -24.99 22.52 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.461 ' HA ' HD13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -90.38 -43.55 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.893 HD13 ' CG1' ' A' ' 47' ' ' VAL . 1.7 mp -64.54 -54.18 36.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.605 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -61.85 -5.91 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.244 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.439 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -90.82 -48.57 6.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.952 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -90.35 -27.35 19.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.952 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -78.54 0.36 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.61 1.193 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -71.45 -53.73 12.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -176.97 -32.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.5 mt-10 -71.2 5.03 2.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.207 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.479 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -33.96 131.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 1.9 m-20 158.98 57.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 0.0 109.372 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 64' ' ' ASP . 24.7 m 73.7 77.23 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.392 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.821 HD12 ' CE2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.5 tptm . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.797 HD22 ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -164.22 147.75 9.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -145.55 110.95 5.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.669 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 80.38 59.38 2.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.583 ' OD2' HD23 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -91.83 151.01 20.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.995 ' CG2' HG23 ' A' ' 15' ' ' VAL . 55.3 t -96.31 -60.36 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -109.06 27.36 9.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.407 ' CG ' HD22 ' A' ' 35' ' ' ASN . 5.5 m-20 49.8 50.25 18.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.02 -51.71 2.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.413 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -160.36 -47.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.615 ' HG3' HG21 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -177.06 167.62 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 0.0 109.343 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.995 HG23 ' CG2' ' A' ' 9' ' ' VAL . 12.6 p -86.39 111.87 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.481 ' ND2' HG22 ' A' ' 18' ' ' THR . 1.0 OUTLIER -160.01 -173.03 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.443 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . 10.9 t -41.87 -43.28 2.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 109.955 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.481 HG22 ' ND2' ' A' ' 16' ' ' ASN . 3.1 t -46.74 -39.34 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.476 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.439 ' HB3' HG11 ' A' ' 9' ' ' VAL . 6.1 m-20 -104.42 29.94 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.593 1.183 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . -65.95 -15.41 62.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.344 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.5 t -76.65 -60.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.681 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -66.44 -19.47 65.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.732 HD13 ' C ' ' A' ' 23' ' ' LEU . 1.7 tm? -78.78 -60.26 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.438 ' N ' HD13 ' A' ' 23' ' ' LEU . 1.5 ttpt -49.74 -29.28 7.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -72.79 -31.81 65.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.712 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 5.3 t80 -84.6 -40.87 16.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.481 HG23 HH22 ' A' ' 46' ' ' ARG . 0.3 OUTLIER -68.76 -36.23 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.9 tp -77.65 -17.12 58.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.142 . . . . 0.0 109.382 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 176.19 119.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.8 p -69.61 76.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.989 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.421 ' N ' ' HD3' ' A' ' 29' ' ' ARG . . . -128.38 -42.48 0.25 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.587 1.18 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.516 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 4.0 tt -59.5 155.89 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.409 ' N ' HG12 ' A' ' 32' ' ' ILE . 27.8 p -100.96 120.63 40.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.956 HD11 ' HD2' ' A' ' 46' ' ' ARG . 3.6 pt -146.04 153.47 13.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.407 HD22 ' CG ' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -69.81 63.15 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.595 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 14.1 t -70.74 -4.22 22.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.414 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.3 -62.17 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.478 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -119.59 45.93 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -101.64 -53.85 2.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.525 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 4.2 t70 -66.96 141.39 57.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mt -143.68 14.81 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.438 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.0 m120 -145.61 11.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.502 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 3.1 tt0 67.33 47.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -126.81 -35.85 2.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.525 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 134.06 -54.6 0.76 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.956 ' HD2' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -149.83 -87.19 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.586 HG22 ' HG ' ' A' ' 23' ' ' LEU . 6.0 m -140.16 139.5 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.91 -44.48 2.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.513 ' O ' ' CD1' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -178.26 -36.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.5 m -97.71 -27.72 14.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.478 ' CB ' ' HA ' ' A' ' 47' ' ' VAL . 0.2 OUTLIER -64.29 -58.18 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.18 . . . . 0.0 109.244 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.926 HD13 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -44.7 -36.92 3.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.926 ' N ' HD13 ' A' ' 52' ' ' LEU . . . -53.78 -34.81 51.5 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.528 1.142 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.759 HG22 HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -80.43 -48.95 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.34 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.764 ' O ' HG23 ' A' ' 59' ' ' ILE . 4.2 mm? -52.01 -61.44 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.95 -14.16 5.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -88.05 -60.87 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 110.251 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.988 ' CD2' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -67.99 -25.64 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.764 HG23 ' O ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -88.97 0.81 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.77 -34.39 76.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.482 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER 179.45 -34.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.49 ' O ' ' C ' ' A' ' 63' ' ' ILE . 10.9 mm-40 -59.34 -11.36 4.11 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.56 1.162 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.541 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -33.28 120.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER 152.55 -54.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 t -120.19 -32.23 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.988 HD12 ' CD2' ' A' ' 58' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.2 mttt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.433 ' CD1' ' OD1' ' A' ' 11' ' ' ASP . 1.1 pt? -173.02 129.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 1.013 ' CZ ' HD13 ' A' ' 41' ' ' LEU . 28.5 t80 -133.34 95.12 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 67.38 41.03 91.57 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.445 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 6.8 t0 -59.41 154.01 17.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 0.797 . . . . 0.0 109.225 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.675 HG11 ' HB3' ' A' ' 22' ' ' ALA . 21.7 t -90.17 -60.84 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.467 ' ND2' ' OD2' ' A' ' 12' ' ' ASP . 8.1 p30 -88.43 -13.67 39.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.433 ' OD1' ' CD1' ' A' ' 5' ' ' LEU . 6.8 t0 70.66 50.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.467 ' OD2' ' ND2' ' A' ' 10' ' ' ASN . 0.9 OUTLIER -118.2 -34.34 4.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 12' ' ' ASP . . . -150.71 -67.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -171.98 158.88 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.647 HG13 ' CD1' ' A' ' 55' ' ' LEU . 2.7 p -78.71 114.78 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 14' ' ' LYS . 1.1 p30 -160.19 -174.36 4.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 t -48.59 -23.36 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.403 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 94.1 m -70.56 -34.69 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.423 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.457 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 63.4 m-20 -92.83 25.53 3.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.59 -35.25 75.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.2 t -47.84 -60.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.675 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -67.48 -19.73 65.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.775 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.6 tp -72.46 -61.82 1.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.378 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -40.45 -40.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -43.35 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.703 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 5.3 t80 -67.85 -31.8 71.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 23' ' ' LEU . 24.0 t -70.35 -51.65 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.393 1.058 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -27.96 50.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' NH1' ' CA ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 178.26 173.35 0.64 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.18 86.19 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.067 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.473 ' CA ' ' NH1' ' A' ' 29' ' ' ARG . . . -133.05 -41.88 0.17 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 20.0 tt -59.1 157.77 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 0.784 . . . . 0.0 109.349 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -99.49 119.99 38.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.731 HD11 ' HD2' ' A' ' 46' ' ' ARG . 2.4 pt -148.77 159.54 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.976 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 1.7 m-80 -65.33 73.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.5 OUTLIER -70.92 -0.43 9.21 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.44 -75.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.238 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.508 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -111.62 29.16 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.976 ' HB2' ' O ' ' A' ' 35' ' ' ASN . . . -68.51 -52.39 32.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.504 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 4.6 t70 -88.85 143.28 27.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 1.013 HD13 ' CZ ' ' A' ' 6' ' ' TYR . 2.1 mp -142.51 17.25 2.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 1.0 OUTLIER -146.62 18.33 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.266 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 57.32 33.69 23.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.412 ' OD2' ' OD1' ' A' ' 51' ' ' ASP . 10.4 m-20 -115.04 -31.83 5.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.504 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 126.35 -56.9 0.71 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.731 ' HD2' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -156.88 -95.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 110.22 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.78 ' O ' HG23 ' A' ' 47' ' ' VAL . 6.8 m -130.93 82.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -77.02 -37.56 54.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.896 ' HA ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER 169.57 -34.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 109.944 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -79.88 -40.52 28.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.584 1.178 . . . . 0.0 110.361 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.506 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -75.92 -39.23 56.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.08 . . . . 0.0 109.244 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.896 HD23 ' HA ' ' A' ' 49' ' ' SER . 0.2 OUTLIER -38.97 -46.62 1.35 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -52.45 -83.55 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.552 HG22 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -43.12 -44.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.387 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.787 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -53.69 -59.8 4.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.533 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -69.87 -5.45 25.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -91.71 -41.48 10.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.891 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -88.93 -41.69 12.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.891 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.6 pp -59.7 -23.93 27.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -45.39 -36.26 4.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.12 -34.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 63' ' ' ILE . 2.0 mt-10 -50.73 -18.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.512 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -31.11 100.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 62' ' ' GLU . 17.9 t0 170.43 -32.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.6 t -147.54 -45.58 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.42 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.842 ' O ' HD23 ' A' ' 66' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.586 HD12 ' HB2' ' A' ' 8' ' ' ASP . 1.9 pt? -174.7 160.66 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.233 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.763 ' CE1' HD21 ' A' ' 41' ' ' LEU . 2.2 t80 -148.88 115.14 5.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.528 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 56.22 61.9 6.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.563 1.165 . . . . 0.0 110.969 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.586 ' HB2' HD12 ' A' ' 5' ' ' LEU . 4.0 t0 -80.48 150.8 29.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.941 ' CG2' HG23 ' A' ' 15' ' ' VAL . 62.0 t -94.63 -60.21 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -106.06 24.12 12.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.235 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 t70 50.06 49.49 20.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.0 -49.53 3.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.18 -52.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.82 161.06 1.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.941 HG23 ' CG2' ' A' ' 9' ' ' VAL . 14.3 p -77.57 114.52 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 7.1 p-10 -152.41 -175.4 5.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -49.91 -22.16 1.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.993 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.2 m -68.57 -35.3 77.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.423 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -100.18 21.88 12.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.73 -32.86 74.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.3 t -48.91 -60.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.796 ' HB1' HD13 ' A' ' 32' ' ' ILE . . . -66.07 -19.79 65.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.71 HD22 HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -72.62 -59.76 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -40.43 -43.97 1.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.386 1.054 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 29' ' ' ARG . 3.3 mtt-85 -67.62 -40.93 84.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 23' ' ' LEU . 33.6 t80 -59.87 -54.78 42.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.71 HG23 HD22 ' A' ' 23' ' ' LEU . 4.2 t -55.86 -49.23 76.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -53.99 52.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -153.86 -179.96 8.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.301 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.3 p -115.49 74.64 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.72 -54.65 0.56 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.829 HD12 HG23 ' A' ' 34' ' ' ILE . 1.1 pt -59.78 179.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 t -130.81 128.28 40.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.972 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.829 HG23 HD12 ' A' ' 32' ' ' ILE . 2.7 pt -142.07 155.24 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -69.71 66.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.567 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 1.7 t -65.68 -11.65 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.173 . . . . 0.0 110.436 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.97 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.528 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -109.97 39.07 2.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 45' ' ' GLY . . . -69.98 -82.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.483 ' HB2' ' CA ' ' A' ' 46' ' ' ARG . 8.8 t0 -91.89 164.93 13.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.763 HD21 ' CE1' ' A' ' 6' ' ' TYR . 2.2 mm? -113.3 -26.17 8.5 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 5.8 m120 -71.48 -16.26 62.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 2.4 tt0 81.46 50.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.88 -36.53 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.57 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . 159.87 -65.61 0.28 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.11 . . . . 0.0 111.059 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.837 ' HB2' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -161.8 -61.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.424 0.72 . . . . 0.0 110.335 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.516 HG23 ' HG ' ' A' ' 23' ' ' LEU . 1.1 m -141.41 113.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.1 -50.76 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.516 ' O ' ' CD1' ' A' ' 52' ' ' LEU . 0.4 OUTLIER 172.45 -32.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 1.178 . . . . 0.0 110.014 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.6 m -100.36 -14.44 18.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -90.25 -47.5 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.938 HD13 ' H ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -49.93 -37.64 32.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.611 1.195 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.938 ' H ' HD13 ' A' ' 52' ' ' LEU . . . -51.96 -44.91 56.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.427 1.08 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -72.21 -35.28 52.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.444 0.732 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.89 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -65.48 -61.62 1.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.82 -6.15 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.467 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -90.69 -54.46 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.952 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -84.3 -28.64 26.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.952 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 0.8 OUTLIER -76.02 -18.93 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 tp -40.78 -35.56 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER 178.68 -29.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.204 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.6 mt-10 -78.16 25.74 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -33.87 143.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.741 ' HB2' HD12 ' A' ' 63' ' ' ILE . 9.6 t0 89.6 -27.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.2 m -79.33 52.05 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.935 HD12 ' CE2' ' A' ' 58' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.375 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.61 ' HB3' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.748 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -148.68 164.05 35.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.631 ' O ' HG12 ' A' ' 15' ' ' VAL . 10.0 t80 -130.76 109.97 10.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.706 ' H ' ' ND2' ' A' ' 38' ' ' ASN . . . 37.58 55.03 1.72 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 11' ' ' ASP . 6.0 t0 -61.94 154.36 26.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.691 ' CG1' ' HB3' ' A' ' 22' ' ' ALA . 99.4 t -88.47 -60.71 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.448 ' ND2' ' OD2' ' A' ' 12' ' ' ASP . 11.8 p30 -90.82 -13.95 32.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 14.8 t0 71.38 50.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.448 ' OD2' ' ND2' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -116.89 -33.07 4.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.404 ' C ' ' OD2' ' A' ' 8' ' ' ASP . . . -152.91 -67.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.579 ' HE2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -173.75 150.58 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.765 . . . . 0.0 109.341 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.838 HG13 ' CD2' ' A' ' 55' ' ' LEU . 2.7 p -61.63 117.25 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.507 ' HB3' HD12 ' A' ' 59' ' ' ILE . 52.3 p30 -159.88 -165.3 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 41.8 t -59.08 -41.52 88.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.6 m -53.34 -26.43 19.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -96.88 18.31 14.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 109.36 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.587 ' HA ' HD22 ' A' ' 23' ' ' LEU . . . -61.68 -32.9 73.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 t -53.25 -61.14 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.691 ' HB3' ' CG1' ' A' ' 9' ' ' VAL . . . -65.88 -48.1 72.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.874 HD23 ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -49.51 -54.43 17.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.874 ' N ' HD23 ' A' ' 23' ' ' LEU . 63.7 tttt -44.2 -47.64 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.25 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HB2' HG21 ' A' ' 32' ' ' ILE . 17.5 mmm180 -65.07 -34.56 78.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.115 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.651 ' CE1' ' NE ' ' A' ' 46' ' ' ARG . 34.2 t80 -74.91 -32.1 61.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 23' ' ' LEU . 31.6 t -75.87 -51.52 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -34.33 62.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.82 173.42 4.53 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -106.44 85.78 2.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.555 1.159 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.72 -44.75 0.08 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 17.2 tt -59.96 154.6 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.415 ' C ' ' CG2' ' A' ' 34' ' ' ILE . 84.2 p -99.79 118.67 36.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.93 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.415 ' CG2' ' C ' ' A' ' 33' ' ' SER . 0.5 OUTLIER -150.22 151.0 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.69 67.91 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.595 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 4.3 t -86.04 24.78 1.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -88.28 -39.18 14.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.706 ' ND2' ' H ' ' A' ' 7' ' ' GLY . 1.7 p-10 -121.61 12.8 10.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -85.78 -29.34 23.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.861 ' O ' HD13 ' A' ' 41' ' ' LEU . 46.8 t0 -98.47 129.7 45.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.861 HD13 ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -128.57 -42.54 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -84.33 6.85 21.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 65.85 43.95 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.8 p30 -116.19 -36.96 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 46' ' ' ARG . . . 144.45 -71.17 0.38 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.651 ' NE ' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -145.15 -82.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 1.113 HG12 HD13 ' A' ' 55' ' ' LEU . 15.6 m -139.18 75.41 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' CG ' ' N ' ' A' ' 49' ' ' SER . 8.3 p30 -61.53 -47.93 83.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 48' ' ' ASN . 3.1 t 178.4 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 110.083 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.07 -40.13 47.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.63 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -74.41 -41.62 60.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 47' ' ' VAL . 0.2 OUTLIER -40.22 -61.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -52.37 -58.83 9.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -48.27 -50.55 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.345 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 1.113 HD13 HG12 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -59.39 -60.59 3.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.441 ' HA ' HG12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.07 -7.94 2.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -91.95 -47.94 7.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 1.189 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -85.51 -39.57 17.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.954 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.2 pt -62.11 -13.85 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.427 1.079 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tp -56.37 -33.15 65.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.97 -36.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.509 ' O ' ' C ' ' A' ' 63' ' ' ILE . 55.5 mm-40 -51.86 -19.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.744 HD13 ' C ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -30.99 108.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 4.8 m-20 156.9 -23.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.9 t -139.05 -46.09 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.189 HD12 ' CE2' ' A' ' 58' ' ' TYR . 3.7 tt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.772 HD22 ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -167.5 148.7 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.244 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.602 ' CE1' HD21 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -147.65 119.02 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 64.43 59.93 7.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.704 ' HB2' HD23 ' A' ' 5' ' ' LEU . 3.5 t0 -89.73 121.03 31.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.789 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.756 HG11 ' NH2' ' A' ' 46' ' ' ARG . 72.2 t -74.93 -60.98 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -102.1 30.31 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.256 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t0 48.37 41.84 17.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.611 1.194 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 1.4 t70 -92.91 -56.53 2.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.464 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -162.99 -42.51 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.475 ' CG ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -171.5 -165.7 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.276 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.759 HG21 ' HB3' ' A' ' 46' ' ' ARG . 2.9 p -113.69 103.96 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.45 HD22 ' N ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -142.03 -172.23 3.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.169 . . . . 0.0 109.352 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.3 t -49.39 -23.84 1.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.4 m -65.45 -47.25 76.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 14' ' ' LYS . 96.4 m-20 -94.46 30.49 1.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.96 -2.03 42.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.6 t -76.54 -60.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.183 . . . . 0.0 109.251 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.729 ' HB3' HH22 ' A' ' 46' ' ' ARG . . . -63.84 -26.63 68.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.658 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -69.62 -56.73 6.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.548 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -45.46 -37.05 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -81.15 -29.75 34.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.786 ' CD1' HD11 ' A' ' 32' ' ' ILE . 23.6 t80 -65.45 -33.93 77.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -90.43 -40.26 12.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.476 HD13 ' HE2' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -69.76 -31.86 70.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.54 ' O ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -125.02 -67.27 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.346 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 1.3 t 88.09 52.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.433 ' N ' ' CD ' ' A' ' 29' ' ' ARG . . . -151.79 48.82 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.786 HD11 ' CD1' ' A' ' 26' ' ' TYR . 1.6 pp -123.22 164.11 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.31 118.39 31.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.607 HG21 HG13 ' A' ' 9' ' ' VAL . 24.8 pt -149.59 171.81 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.584 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -81.04 45.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.535 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 1.8 t -39.49 -28.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.422 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' ASN . 6.4 m-20 -39.49 -74.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -110.26 38.11 2.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.535 ' HB2' ' HA ' ' A' ' 36' ' ' THR . . . -64.99 -67.98 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 43' ' ' GLU . 1.0 OUTLIER -115.04 165.14 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.602 HD21 ' CE1' ' A' ' 6' ' ' TYR . 2.3 mm? -114.7 -26.72 7.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.501 ' CB ' ' OD1' ' A' ' 44' ' ' ASP . 29.9 m120 -64.61 -11.61 36.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 4.4 mt-10 70.4 39.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.501 ' OD1' ' CB ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -116.46 -33.15 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.409 ' C ' ' HG3' ' A' ' 46' ' ' ARG . . . 156.78 -77.15 0.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.759 ' HB3' HG21 ' A' ' 15' ' ' VAL . 12.4 mtp180 -140.25 -73.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.647 ' O ' HG23 ' A' ' 47' ' ' VAL . 16.0 m -144.63 100.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.92 -40.95 75.25 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.587 1.179 . . . . 0.0 109.225 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.655 ' HA ' HD21 ' A' ' 52' ' ' LEU . 0.4 OUTLIER 174.92 -34.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' ASP . 16.9 m -89.85 -51.63 5.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.44 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.534 ' O ' HD23 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -39.7 -56.09 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.837 HD12 ' N ' ' A' ' 53' ' ' GLY . 3.1 pp -38.56 -54.48 1.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.837 ' N ' HD12 ' A' ' 52' ' ' LEU . . . -46.6 -74.61 0.22 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.1 -39.35 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.912 ' O ' HG23 ' A' ' 59' ' ' ILE . 3.0 mm? -57.69 -63.39 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.476 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -64.79 -3.5 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -91.18 -49.2 6.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 110.266 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.962 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -91.01 -30.71 16.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 110.957 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.962 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 0.8 OUTLIER -71.84 -24.22 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.351 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.914 HD13 ' O ' ' A' ' 60' ' ' LEU . 1.8 tm? -92.0 4.09 53.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -116.84 -111.47 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -82.68 -4.97 58.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.4 tp 32.12 90.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.356 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER 158.88 -35.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.7 m -72.39 -72.68 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 110.403 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.945 HD12 ' CE2' ' A' ' 58' ' ' TYR . 7.1 tt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.6 HD23 ' OD2' ' A' ' 8' ' ' ASP . 0.4 OUTLIER -80.86 132.49 35.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.227 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.593 ' CE1' HD21 ' A' ' 41' ' ' LEU . 3.1 t80 -150.36 123.48 8.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 92.21 15.56 53.29 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.6 ' OD2' HD23 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -64.16 91.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.612 0.831 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.869 HG21 ' NH1' ' A' ' 46' ' ' ARG . 42.9 t -61.1 -60.75 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -105.83 29.23 6.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.216 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.452 ' HA ' ' CG ' ' A' ' 8' ' ' ASP . 1.1 m-20 48.6 61.21 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -118.72 -54.54 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.352 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -151.93 -57.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.402 1.064 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HE2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -172.17 -171.73 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.545 ' CG2' ' NE ' ' A' ' 46' ' ' ARG . 8.4 p -87.52 113.63 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.429 ' ND2' ' HE2' ' A' ' 14' ' ' LYS . 15.8 p-10 -160.61 170.7 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.353 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 3.3 t -46.48 -33.59 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 m -50.67 -33.46 22.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.402 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.463 ' CG ' ' HB ' ' A' ' 9' ' ' VAL . 87.6 m-20 -96.92 24.39 6.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.389 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 17' ' ' SER . . . -59.94 -37.94 80.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.4 t -46.99 -43.3 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.598 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -81.13 -58.77 2.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.779 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -42.67 -47.37 5.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.47 -58.89 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -62.16 -37.47 85.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.664 ' HB2' HD11 ' A' ' 32' ' ' ILE . 59.9 t80 -63.83 -34.52 78.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.062 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 23' ' ' LEU . 38.9 t -83.27 -48.37 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -35.91 71.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -164.21 -174.12 3.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.69 74.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.953 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.427 ' N ' ' HD3' ' A' ' 29' ' ' ARG . . . -122.99 -50.85 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.664 HD11 ' HB2' ' A' ' 26' ' ' TYR . 2.8 pp -59.87 160.68 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.2 p -117.07 125.71 51.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.408 1.068 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.544 HG21 HG13 ' A' ' 9' ' ' VAL . 22.4 pt -139.75 -179.77 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.488 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 2.3 p30 -85.79 40.62 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.537 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -38.47 -29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.8 m-20 -44.15 -59.09 2.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.508 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.7 p-10 -119.47 49.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.246 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.537 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -105.58 -49.96 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 43' ' ' GLU . 1.6 t70 -79.5 141.24 36.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.593 HD21 ' CE1' ' A' ' 6' ' ' TYR . 1.5 mp -139.6 13.6 2.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.412 ' CG ' ' OD1' ' A' ' 51' ' ' ASP . 12.2 m120 -141.32 14.9 2.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 2.3 mt-10 58.57 34.0 23.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 6.3 m-20 -114.26 -32.14 6.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 132.54 -44.48 1.2 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.869 ' NH1' HG21 ' A' ' 9' ' ' VAL . 9.2 mtp180 -167.17 -92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 0.798 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.592 ' CG2' HD22 ' A' ' 23' ' ' LEU . 34.1 m -142.84 102.25 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.16 -34.06 29.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.74 -32.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.962 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.5 m -88.09 -63.72 1.26 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' THR . 1.4 m-20 -36.99 -40.03 0.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -39.59 -61.27 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -37.17 -80.42 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -39.16 -50.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.86 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -51.66 -60.54 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.706 ' O ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -69.33 -2.43 10.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.368 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -93.1 -53.72 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 1.13 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -73.3 -40.92 64.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 111.028 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.909 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 3.1 pt -63.68 -26.3 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.706 HD13 ' O ' ' A' ' 56' ' ' LYS . 4.0 tp -40.52 -56.13 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.408 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 0.8 OUTLIER -175.86 35.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 58' ' ' TYR . 2.4 mm-40 -125.36 -3.45 7.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.557 HD12 ' HE1' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -40.75 114.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 168.51 -34.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -137.23 -44.11 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 110.439 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.13 HD12 ' CE2' ' A' ' 58' ' ' TYR . 5.3 tt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.7 mttp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.524 HD12 ' HB2' ' A' ' 8' ' ' ASP . 1.4 pt? -172.52 150.53 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.522 ' OH ' HD12 ' A' ' 41' ' ' LEU . 21.4 t80 -150.26 96.5 2.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.62 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 101.65 55.64 0.88 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.524 ' HB2' HD12 ' A' ' 5' ' ' LEU . 3.3 t0 -90.19 149.83 22.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.968 ' CG2' HG23 ' A' ' 15' ' ' VAL . 46.9 t -94.32 -56.29 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.456 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 1.7 p30 -109.5 26.75 10.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t0 50.05 42.71 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 109.248 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -99.91 -52.08 3.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.77 -49.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.382 1.051 . . . . 0.0 111.057 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -173.47 179.67 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.743 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.968 HG23 ' CG2' ' A' ' 9' ' ' VAL . 9.1 p -96.36 94.02 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.22 -170.27 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 15.1 t -51.35 -38.09 51.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.955 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.1 m -49.79 -43.81 48.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.398 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.456 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 97.5 m-20 -96.51 24.71 5.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -59.64 -40.48 87.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.1 t -41.81 -60.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.595 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -61.06 -45.31 95.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.956 HD11 ' HB2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -50.66 -60.53 2.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -40.42 -44.24 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -47.9 68.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.686 ' CE1' ' CZ ' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -59.43 -45.28 91.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.142 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 23' ' ' LEU . 15.8 t -61.36 -56.89 14.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.87 -41.68 58.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -162.07 161.02 28.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 110.276 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.3 m -99.59 69.7 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.7 -37.22 0.68 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 13.0 tt -59.61 160.92 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.71 121.53 45.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 110.015 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.741 HD11 ' HD3' ' A' ' 46' ' ' ARG . 3.2 pt -146.48 165.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.37 59.9 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.838 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 5.3 t -61.17 -10.51 6.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.381 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.7 OUTLIER -34.18 -69.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.52 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -119.33 36.33 4.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.838 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -96.64 -18.04 19.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -115.68 104.02 11.27 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.699 HD22 ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -112.67 52.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 9.4 m120 -163.4 -30.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 1.8 tt0 86.91 35.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.444 ' OD1' ' CB ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -115.04 -30.97 6.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.247 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.53 ' CA ' ' NH2' ' A' ' 46' ' ' ARG . . . 154.96 -77.77 0.2 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.956 ' HB2' HD11 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -153.99 -66.44 0.14 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 0.784 . . . . 0.0 110.352 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.786 HG22 ' HG ' ' A' ' 23' ' ' LEU . 18.3 m -146.67 71.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.118 . . . . 0.0 109.203 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 49' ' ' SER . 7.9 p30 -59.55 -40.62 87.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 166.41 -31.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 m -81.21 -33.64 32.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' LEU . 1.2 t0 -73.91 -43.73 57.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -38.77 -60.61 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -53.16 -72.61 0.51 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.146 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.434 HG22 ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -40.0 -42.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.527 0.781 . . . . 0.0 109.281 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 59' ' ' ILE . 1.2 mm? -62.45 -61.54 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.463 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -62.91 -5.0 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -90.62 -49.61 6.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.9 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -90.35 -31.05 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.9 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -72.32 -20.17 19.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.946 HD13 ' O ' ' A' ' 60' ' ' LEU . 2.3 tm? -93.96 1.63 56.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -118.5 -111.75 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.422 1.076 . . . . 0.0 109.211 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 mt-10 -77.83 -9.41 59.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.861 HD13 ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER 30.91 90.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.369 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.612 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER 146.36 -20.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 66' ' ' LEU . 7.2 m -84.48 -45.14 12.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.128 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.864 HD12 ' CE2' ' A' ' 58' ' ' TYR . 5.4 tt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.793 HD22 ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -149.27 147.71 28.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.707 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.9 t80 -150.45 112.67 4.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.632 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 68.82 61.07 4.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.145 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.574 ' HB2' HD23 ' A' ' 5' ' ' LEU . 1.1 t0 -88.22 149.55 23.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.863 HG11 ' HB3' ' A' ' 22' ' ' ALA . 49.3 t -98.71 -59.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -101.7 21.48 14.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 50.03 50.41 18.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.36 -53.09 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.04 -52.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.568 1.168 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.04 169.21 1.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 0.749 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.835 HG23 ' CG2' ' A' ' 9' ' ' VAL . 12.4 p -83.23 94.99 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.747 HD22 HD13 ' A' ' 59' ' ' ILE . 1.5 p30 -134.65 -179.63 5.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -45.5 -27.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.944 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -64.95 -40.74 95.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 16' ' ' ASN . 98.7 m-20 -92.52 21.55 5.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . -59.65 -41.01 89.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' ALA . 41.7 t -39.86 -47.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.863 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -80.13 -33.44 38.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.911 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.4 tp -59.44 -60.11 4.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -51.95 -32.79 34.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.47 ' HG2' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -78.68 -31.32 46.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.649 ' CD1' ' NE ' ' A' ' 46' ' ' ARG . 17.8 t80 -80.83 -28.79 36.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 23' ' ' LEU . 14.2 t -77.94 -43.98 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.97 0.02 57.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 30' ' ' SER . 1.9 tpt180 74.59 154.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.47 ' CB ' ' HG2' ' A' ' 25' ' ' ARG . 0.6 OUTLIER 163.97 158.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.052 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.81 59.06 0.51 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 1.6 tt -115.23 153.27 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.55 126.4 44.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.527 ' CG2' HG13 ' A' ' 9' ' ' VAL . 1.8 pt -140.36 176.7 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.371 1.044 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.65 67.01 2.34 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.65 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 5.1 t -68.15 -6.52 23.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.78 -75.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.504 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 2.8 p-10 -102.36 40.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.65 ' HB2' ' HA ' ' A' ' 36' ' ' THR . . . -76.71 -90.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 1.055 ' O ' HD13 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -79.22 163.01 25.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 1.055 HD13 ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -134.22 47.63 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.578 ' ND2' ' OD1' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -165.11 31.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.37 1.044 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 46.95 46.39 15.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.282 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -114.24 -36.45 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 130.14 -63.3 0.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.667 HH12 HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -145.62 -94.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.603 0.825 . . . . 0.0 110.26 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.686 HG12 HD13 ' A' ' 55' ' ' LEU . 26.7 m -134.57 96.51 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.408 1.067 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.14 -35.44 28.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.434 ' HA ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER 168.41 -31.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.2 m -78.07 -37.99 45.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.615 ' HB3' HG12 ' A' ' 47' ' ' VAL . 2.2 m-20 -80.13 -50.34 10.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 49' ' ' SER . 0.1 OUTLIER -38.65 -45.34 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.75 -58.29 14.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -44.22 93.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.797 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.811 HD22 ' O ' ' A' ' 15' ' ' VAL . 0.5 OUTLIER -60.99 -59.23 5.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.559 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -59.65 -1.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.584 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -91.77 -53.47 4.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 1.011 ' CE1' HG22 ' A' ' 59' ' ' ILE . 1.0 OUTLIER -91.67 -34.03 14.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 1.011 HG22 ' CE1' ' A' ' 58' ' ' TYR . 1.4 pp -58.58 -15.7 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -47.96 -56.27 8.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.496 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER 177.28 -25.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -63.73 -39.73 95.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.508 ' O ' ' O ' ' A' ' 62' ' ' GLU . 1.4 tp 40.2 96.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t0 170.83 -31.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.2 m -76.79 53.06 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 110.44 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.891 HD12 ' CE2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.524 ' C ' HD13 ' A' ' 5' ' ' LEU . 1.6 mttt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.736 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -137.89 167.18 22.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -150.31 100.31 2.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.97 47.51 2.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 35' ' ' ASN . 2.8 t0 -81.73 125.77 31.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 0.774 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.772 HG11 ' HB3' ' A' ' 22' ' ' ALA . 47.8 t -77.64 -60.23 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.449 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 4.4 p30 -104.38 30.08 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.6 t70 48.16 42.48 17.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -98.2 -54.52 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -160.26 -45.18 0.02 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.45 1.094 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.39 -170.9 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.66 ' HB ' HG23 ' A' ' 9' ' ' VAL . 5.9 p -108.15 104.02 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.439 ' OD1' ' CB ' ' A' ' 18' ' ' THR . 5.7 p30 -154.02 -171.31 3.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.613 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . 15.0 t -48.82 -23.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.955 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.439 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 45.5 m -67.55 -36.77 81.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.449 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.5 m-20 -111.16 22.16 15.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.613 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . -59.88 -22.67 62.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.39 -59.71 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.772 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -67.68 -23.27 65.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.927 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -66.73 -54.32 24.09 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -50.83 -42.91 58.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -69.46 -26.23 64.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.527 ' CD1' ' HD3' ' A' ' 46' ' ' ARG . 25.1 t80 -83.88 -35.98 23.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.927 HG23 ' O ' ' A' ' 23' ' ' LEU . 9.2 t -67.31 -43.79 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.361 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.22 -57.47 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.508 ' O ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -147.3 -82.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.319 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 2.2 p 158.02 51.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.975 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.53 -20.43 10.95 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.505 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 16.7 tt -71.23 168.68 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.94 122.81 45.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.57 ' CG2' HG13 ' A' ' 9' ' ' VAL . 11.4 pt -146.61 -179.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.706 ' ND2' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -80.88 43.34 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.508 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -38.72 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.412 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -40.77 -73.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 1.8 p-10 -109.86 44.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.706 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -93.87 -61.31 1.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.526 ' O ' HD23 ' A' ' 41' ' ' LEU . 8.1 t0 -64.19 155.6 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.258 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 40' ' ' ASP . 36.7 mt -154.44 24.34 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 109.378 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.42 ' OD1' ' OD2' ' A' ' 44' ' ' ASP . 23.7 p-10 -173.86 37.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 47.84 43.2 17.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' NH2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -118.1 -35.83 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.469 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 129.3 -64.67 0.6 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.771 ' HB2' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -148.5 -55.91 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.76 . . . . 0.0 110.27 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.703 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.6 t -156.92 107.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.8 -49.18 6.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.8 p 179.24 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.5 m -84.12 -39.0 20.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 110.435 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.496 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -67.61 -28.5 67.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -52.19 -45.69 65.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -63.13 -62.15 5.71 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.539 HG23 ' HB2' ' A' ' 66' ' ' LEU . 2.5 mm -42.52 -46.28 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.913 ' O ' HG23 ' A' ' 59' ' ' ILE . 3.1 mm? -60.92 -61.49 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.459 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 3.8 tttt -63.34 -0.92 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 55' ' ' LEU . 2.7 mtt180 -90.42 -53.21 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.957 ' CE2' HD12 ' A' ' 66' ' ' LEU . 1.9 p90 -90.52 -27.81 18.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.923 HG22 ' CE1' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -74.97 -0.75 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 61' ' ' LYS . 13.3 tp -70.47 -52.96 18.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -177.59 -33.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -72.14 3.98 4.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.4 OUTLIER -34.42 131.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' A' ' 65' ' ' THR . 7.4 m-20 162.18 45.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.525 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 2.0 m 85.23 86.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.491 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.957 HD12 ' CE2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.791 ' C ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.791 HD23 ' C ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -169.38 -179.48 3.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.517 ' HE1' HD11 ' A' ' 41' ' ' LEU . 2.6 t80 -150.61 110.94 4.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.707 ' H ' ' ND2' ' A' ' 38' ' ' ASN . . . 39.04 56.72 2.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.486 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 4.7 t0 -58.37 152.97 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.748 HG11 ' HB3' ' A' ' 22' ' ' ALA . 88.2 t -91.19 -60.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.466 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 6.4 p30 -106.76 20.31 19.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 t70 50.8 54.46 11.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.07 -33.93 5.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.439 ' N ' ' OD2' ' A' ' 8' ' ' ASP . . . -172.37 -60.57 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' O ' ' OD2' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -156.5 -171.15 3.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.773 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.6 p -112.01 96.27 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -148.34 -172.28 4.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 11.3 t -45.37 -36.69 4.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 m -50.64 -40.39 53.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.466 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 83.2 m-20 -99.85 28.78 4.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.372 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 17' ' ' SER . . . -59.74 -37.91 80.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 20' ' ' ALA . 65.2 t -40.03 -60.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.748 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -66.15 -36.11 82.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.734 HD11 ' CG2' ' A' ' 47' ' ' VAL . 0.5 OUTLIER -55.62 -60.36 3.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.66 -41.88 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.2 -41.88 69.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 110.254 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.709 ' OH ' HG21 ' A' ' 36' ' ' THR . 26.5 t80 -65.42 -45.96 81.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 23' ' ' LEU . 22.0 t -61.39 -57.34 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.421 ' O ' HD23 ' A' ' 28' ' ' LEU . 3.0 tt -48.42 -39.89 24.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HD3' ' N ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -176.34 -179.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.407 ' N ' ' HD3' ' A' ' 29' ' ' ARG . 89.5 p -107.9 115.29 29.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.051 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -160.07 -50.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.934 HD12 HG23 ' A' ' 34' ' ' ILE . 1.3 pp -59.9 148.56 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.295 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.1 p -89.77 121.14 31.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.934 HG23 HD12 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -149.92 166.3 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -95.08 68.52 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.753 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 5.7 t -81.2 17.14 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 110.428 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -73.0 -45.97 54.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.707 ' ND2' ' H ' ' A' ' 7' ' ' GLY . 1.7 p-10 -120.45 16.46 12.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.753 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -83.88 -18.54 37.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.998 ' O ' HD13 ' A' ' 41' ' ' LEU . 1.5 t70 -113.28 141.38 47.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.259 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -140.97 20.68 2.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.416 ' OD1' ' OD1' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -151.17 21.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 55.58 44.87 25.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.29 -32.36 6.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.48 -49.53 0.84 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.652 ' NH1' HD13 ' A' ' 34' ' ' ILE . 31.4 mmm-85 -145.43 -92.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 0.762 . . . . 0.0 110.323 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.734 ' CG2' HD11 ' A' ' 23' ' ' LEU . 5.7 m -152.73 95.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -71.48 -47.03 58.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.426 ' HA ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER 177.39 -36.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.4 m -78.4 -34.69 47.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 42' ' ' ASN . 14.9 t70 -89.76 -21.57 22.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.763 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.43 -58.65 7.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.17 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -52.39 -62.28 5.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 111.045 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.58 HG22 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -46.57 -40.05 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.575 0.809 . . . . 0.0 109.264 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.848 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -65.99 -57.21 8.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -69.2 0.54 4.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -92.75 -53.91 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 1.198 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -80.72 -36.68 31.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 111.056 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.96 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.3 pp -64.72 -11.21 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.91 -42.25 97.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.597 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -161.58 -36.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.617 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -63.2 -1.21 0.95 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.743 HD13 ' HB2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -21.37 129.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.243 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.743 ' HB2' HD13 ' A' ' 63' ' ' ILE . 13.6 t0 92.3 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 62' ' ' GLU . 99.1 m -56.54 -67.17 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 1.198 HD12 ' CE2' ' A' ' 58' ' ' TYR . 4.8 tt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.4 mtm . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.452 0.167 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.69 139.09 4.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.989 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.2 m -147.76 139.06 23.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.363 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.6 96.17 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.24 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.88 HD12 ' HB2' ' A' ' 8' ' ' ASP . 2.5 pt? -167.49 166.97 14.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.841 ' CE1' HD22 ' A' ' 41' ' ' LEU . 54.4 t80 -148.5 101.86 3.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 55.97 45.88 85.64 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.88 ' HB2' HD12 ' A' ' 5' ' ' LEU . 2.1 t0 -59.09 151.49 22.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.401 0.706 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.421 HG23 ' HA ' ' A' ' 15' ' ' VAL . 14.1 t -96.86 -56.99 4.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -110.09 23.7 13.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.06 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 51.12 46.7 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.84 -46.3 4.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -163.46 -51.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' CG ' ' OD1' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -172.8 -179.76 2.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.727 ' O ' HD22 ' A' ' 55' ' ' LEU . 2.7 p -99.77 106.26 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.436 ' OD1' ' CG ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -151.54 -169.52 3.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t -49.82 -22.44 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.3 m -67.74 -47.66 68.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -92.36 26.13 2.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.453 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -64.39 -37.88 89.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -40.2 -53.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.242 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 32' ' ' ILE . . . -73.6 -31.89 63.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.95 HD11 HG22 ' A' ' 47' ' ' VAL . 2.8 tt -53.78 -60.18 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.723 ' O ' HD13 ' A' ' 28' ' ' LEU . 64.1 tttt -51.71 -43.25 62.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -26.52 66.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.576 ' CE1' ' HD2' ' A' ' 46' ' ' ARG . 37.1 t80 -82.8 -62.39 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.7 t -44.93 -35.07 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.723 HD13 ' O ' ' A' ' 24' ' ' LYS . 3.6 mp -69.17 -52.81 24.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.43 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -157.47 165.67 35.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.353 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -97.91 64.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.046 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.86 -49.27 1.1 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.544 HD13 ' HB1' ' A' ' 22' ' ' ALA . 1.7 pt -59.93 166.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 0.73 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.43 119.87 37.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.495 ' CG2' HD12 ' A' ' 32' ' ' ILE . 5.6 pt -139.33 163.63 25.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.444 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 2.1 m-80 -69.99 61.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.458 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -55.78 -17.47 6.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.371 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' THR . 2.8 m-20 -39.37 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.515 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 1.9 p-10 -112.39 38.94 2.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -78.08 -55.47 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 5.4 t70 -86.81 145.33 26.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.841 HD22 ' CE1' ' A' ' 6' ' ' TYR . 4.9 mp -145.96 22.28 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.406 ' CG ' ' OD1' ' A' ' 51' ' ' ASP . 1.2 m120 -154.79 24.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 52.32 36.9 20.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.42 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 27.7 m-20 -114.32 -33.01 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.429 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 121.11 -52.27 0.75 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.158 . . . . 0.0 111.047 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.576 ' HD2' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -149.94 -93.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 110.271 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.95 HG22 HD11 ' A' ' 23' ' ' LEU . 16.6 m -141.65 79.57 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 49' ' ' SER . 9.9 p30 -61.11 -38.75 87.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER 165.42 -30.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.05 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.4 m -78.47 -40.4 35.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.803 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -79.95 -43.11 22.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.438 ' CA ' ' HB ' ' A' ' 47' ' ' VAL . 1.5 tt -39.16 -61.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -38.22 -74.22 0.12 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -43.57 -49.58 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 0.722 . . . . 0.0 109.246 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.875 HD13 HG12 ' A' ' 47' ' ' VAL . 0.6 OUTLIER -53.65 -61.5 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.474 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 11.4 ptmt -61.9 -8.24 4.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -91.47 -45.54 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 1.069 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -90.17 -39.03 13.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.936 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.3 pp -59.49 -16.42 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.615 HD23 ' HE3' ' A' ' 61' ' ' LYS . 10.0 tp -54.54 -34.6 62.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.615 ' HE3' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -177.14 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.8 mt-10 -51.87 -18.37 1.29 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.583 1.177 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.503 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -32.83 100.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.4 t0 167.32 -31.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.6 t -134.15 -43.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.069 HD12 ' CE2' ' A' ' 58' ' ' TYR . 1.0 OUTLIER 66.64 111.74 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.03 60.64 5.52 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 69' ' ' LYS . 55.6 p90 -34.96 -45.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.553 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 4.0 tptp 56.89 98.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.572 1.17 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -86.66 121.23 28.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 mtp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.5 0.191 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.33 170.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -117.33 157.55 25.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.459 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.31 93.59 1.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -162.84 136.63 6.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.371 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 38' ' ' ASN . 16.4 t80 -149.63 107.5 3.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.647 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 84.36 59.46 2.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.552 1.157 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 13' ' ' GLY . 0.8 OUTLIER -98.19 152.57 19.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.44 0.73 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.55 HG23 ' CZ ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -96.11 -47.04 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.464 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 0.8 OUTLIER -111.89 16.6 20.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.5 t70 49.11 60.45 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.182 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.478 ' CG ' ' N ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -120.1 -49.46 2.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.506 ' N ' ' OD2' ' A' ' 8' ' ' ASP . . . -150.55 -55.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.612 ' CE ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER 179.55 159.01 0.69 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.421 0.718 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 7' ' ' GLY . 14.1 p -75.79 111.91 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -145.06 -170.8 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.385 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 t -49.91 -22.28 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.4 m -77.13 -37.03 54.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.453 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.41 ' OD2' ' HB ' ' A' ' 9' ' ' VAL . 6.1 m-20 -83.99 7.55 18.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.377 1.048 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.07 -20.78 62.99 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.0 t -68.28 -58.89 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 109.36 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.513 ' O ' HG21 ' A' ' 32' ' ' ILE . . . -63.44 -33.67 76.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.993 HD13 HG22 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -68.38 -56.97 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.249 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.16 -26.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.598 ' HB3' HD12 ' A' ' 32' ' ' ILE . 1.6 mpt_? -88.31 -38.44 15.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.787 ' HB2' HG22 ' A' ' 32' ' ' ILE . 33.1 t80 -70.62 -22.38 62.54 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 23' ' ' LEU . 24.6 t -90.38 -42.44 14.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.64 -48.86 15.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.602 1.189 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ARG . 3.4 tmt_? -83.48 160.07 21.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.53 -74.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.04 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.83 86.45 0.12 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.787 HG22 ' HB2' ' A' ' 26' ' ' TYR . 1.7 tt -59.51 153.35 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.2 m -60.78 116.11 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.03 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.819 HD12 ' NH1' ' A' ' 46' ' ' ARG . 6.0 pt -153.25 -179.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.408 1.068 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.44 56.14 0.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.753 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 5.7 t -59.66 -14.42 13.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' THR . 3.5 m-20 -39.24 -63.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -120.78 45.96 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.753 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -107.34 -56.55 2.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -72.55 121.09 19.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.432 ' CD2' ' OH ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -126.54 6.99 6.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.405 ' OD1' ' OD1' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -138.66 14.82 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 53.86 36.15 23.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.41 ' OD2' ' OD1' ' A' ' 51' ' ' ASP . 2.2 p30 -112.88 -35.33 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' C ' ' CG ' ' A' ' 46' ' ' ARG . . . 147.78 -72.56 0.31 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.819 ' NH1' HD12 ' A' ' 34' ' ' ILE . 2.2 mtp85 -154.39 -70.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.993 HG22 HD13 ' A' ' 23' ' ' LEU . 16.5 m -139.25 71.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.9 OUTLIER -59.15 -40.63 86.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 1.4 m 164.3 -31.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 m -85.89 -26.03 25.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.442 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -86.08 -40.24 15.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -38.53 -46.2 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -59.28 -80.21 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.479 HG22 ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -40.16 -39.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 109.379 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.796 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -60.75 -60.38 3.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.505 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -68.89 -5.48 21.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -91.86 -55.92 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 1.157 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -71.06 -31.9 68.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.864 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.5 pp -76.3 -1.87 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 tp -69.55 -33.2 72.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -175.81 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 63' ' ' ILE . 4.2 mt-10 -53.95 -17.14 2.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.756 HD12 ' HE1' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -34.55 109.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER 153.79 -23.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.19 -48.91 0.55 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.157 HD12 ' CE2' ' A' ' 58' ' ' TYR . 7.1 tt 67.42 98.01 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 62.63 5.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 110.957 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.574 ' N ' HD23 ' A' ' 66' ' ' LEU . 17.2 p90 -40.74 157.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -86.59 137.61 32.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.376 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -71.4 101.38 2.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 ptt? . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.485 0.183 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.52 132.8 35.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.965 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.3 p -126.93 138.69 53.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.457 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.03 104.69 4.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.647 HD12 ' OD2' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -170.45 153.26 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.739 ' OH ' HD22 ' A' ' 41' ' ' LEU . 50.1 t80 -150.12 101.98 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.726 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 95.92 52.42 1.65 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.093 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.647 ' OD2' HD12 ' A' ' 5' ' ' LEU . 1.9 t0 -98.43 150.22 21.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.933 ' CG2' HG23 ' A' ' 15' ' ' VAL . 66.2 t -100.17 -59.74 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.064 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -104.04 22.04 15.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.087 . . . . 0.0 109.391 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.625 ' OD1' HD11 ' A' ' 5' ' ' LEU . 9.6 t0 49.9 45.94 24.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.6 -45.55 5.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.8 -52.92 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' CD ' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -173.76 170.45 3.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.249 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.933 HG23 ' CG2' ' A' ' 9' ' ' VAL . 13.7 p -91.26 110.82 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.459 ' ND2' ' CD ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -152.96 -172.47 4.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -45.52 -25.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.41 ' N ' ' C ' ' A' ' 16' ' ' ASN . 75.8 m -69.06 -43.61 74.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.451 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.438 ' HB3' HG21 ' A' ' 9' ' ' VAL . 87.4 m-20 -92.23 22.19 4.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.72 84.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.9 t -46.82 -60.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.747 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -65.89 -56.44 11.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.971 HD12 ' NH1' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -40.74 -57.91 1.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -44.47 20.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.505 ' O ' ' CD ' ' A' ' 29' ' ' ARG . 5.3 mtt180 -69.3 -28.1 65.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.708 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 5.0 t80 -80.79 -38.55 28.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.521 HG23 HH22 ' A' ' 46' ' ' ARG . 0.3 OUTLIER -78.11 -36.6 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 28' ' ' LEU . 5.3 tt -75.82 -40.92 54.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -150.7 -170.44 3.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.155 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.3 p -132.09 58.42 1.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -100.91 -56.38 0.9 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.658 ' CD1' HG23 ' A' ' 34' ' ' ILE . 2.5 pp -59.74 178.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.785 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -136.83 120.99 17.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.669 HG21 HG13 ' A' ' 9' ' ' VAL . 5.4 pt -129.99 168.99 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -69.87 61.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.376 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -58.01 -24.87 60.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.7 OUTLIER -37.35 -68.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.529 ' ND2' ' CE2' ' A' ' 6' ' ' TYR . 9.2 t-20 -116.54 66.52 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.438 ' HB1' ' HG3' ' A' ' 46' ' ' ARG . . . -116.49 -67.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.962 ' O ' HD23 ' A' ' 41' ' ' LEU . 47.4 t0 -59.64 149.94 28.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.962 HD23 ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -148.45 -45.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.426 ' CG ' ' OD1' ' A' ' 51' ' ' ASP . 2.8 m120 -85.11 3.98 36.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 75.01 36.21 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 110.362 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' A' ' 51' ' ' ASP . 5.2 p-10 -115.49 -33.8 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.59 -66.35 0.5 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.971 ' NH1' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -145.0 -89.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 0.759 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.734 ' CG2' HD13 ' A' ' 23' ' ' LEU . 3.6 m -135.0 72.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -59.5 -40.83 88.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.66 ' HA ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER 166.31 -30.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.9 m -82.87 -36.86 25.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.424 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.426 ' OD1' ' CG ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -74.72 -42.45 58.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -49.31 -44.46 44.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.82 -26.35 17.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.471 HG22 HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -90.19 -37.49 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.794 HD13 ' CE2' ' A' ' 58' ' ' TYR . 1.6 mm? -61.34 -61.26 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.495 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -60.95 -6.31 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 0.0 109.345 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' H ' ' C ' ' A' ' 55' ' ' LEU . 3.9 ttt180 -89.49 -49.54 6.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.241 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.832 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -91.39 -42.71 10.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.832 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.4 pp -50.25 -22.25 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -45.79 -60.33 2.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -179.36 38.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -131.7 5.85 4.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.561 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -41.01 156.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 1.6 t0 151.51 -63.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.464 ' O ' ' O ' ' A' ' 66' ' ' LEU . 1.1 t -134.73 5.76 3.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.443 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.92 ' O ' HD23 ' A' ' 66' ' ' LEU . 0.2 OUTLIER 44.84 98.07 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.401 1.063 . . . . 0.0 109.254 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.04 63.07 6.0 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.448 ' C ' ' O ' ' A' ' 67' ' ' PRO . 8.2 p90 -34.01 -47.56 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.432 ' N ' ' CD2' ' A' ' 68' ' ' TYR . 14.6 tttp 70.92 -75.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 176.76 162.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.4 mtt . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.497 0.189 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.04 54.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.051 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.442 HG23 HD22 ' A' ' 5' ' ' LEU . 9.2 t -171.0 165.0 7.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.397 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -126.74 123.14 36.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.545 HD23 ' N ' ' A' ' 5' ' ' LEU . 1.2 pt? -174.09 147.84 1.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.607 ' CE1' ' OD1' ' A' ' 38' ' ' ASN . 45.7 t80 -150.35 116.89 5.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.716 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 75.66 59.27 3.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -90.28 149.98 22.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.921 ' CG2' HG23 ' A' ' 15' ' ' VAL . 74.7 t -99.92 -59.61 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.444 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 4.5 p30 -105.43 27.41 8.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 50.04 45.84 25.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.423 ' HB3' 'CA ' ' A' ' 72' ' ' ' CA' . 4.8 t70 -100.58 -54.64 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -159.67 -42.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.28 -172.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.921 HG23 ' CG2' ' A' ' 9' ' ' VAL . 11.1 p -111.39 103.36 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.691 ' CG ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -145.35 -160.51 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.218 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.9 t -60.11 -15.13 20.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 m -75.34 -42.12 55.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.467 1.104 . . . . 0.0 110.408 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.444 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.2 m-20 -101.8 26.3 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.31 -23.86 65.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.2 t -55.52 -60.45 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.547 1.154 . . . . 0.0 109.221 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.584 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -68.28 -27.34 66.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.82 HD21 ' HB2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -60.69 -60.22 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -49.13 -40.07 31.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -29.81 70.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.24 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.771 ' OH ' HG21 ' A' ' 36' ' ' THR . 1.8 t80 -78.89 -50.18 11.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 111.07 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 23' ' ' LEU . 11.9 t -50.66 -48.94 26.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.361 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -39.71 81.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.395 1.059 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.434 ' C ' ' CD ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 173.63 172.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.1 m -86.79 108.05 18.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.82 -66.13 0.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.558 HD13 ' H ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -73.46 177.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.7 p -115.03 119.97 38.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.033 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.733 HG21 HG13 ' A' ' 9' ' ' VAL . 6.7 pt -138.08 174.22 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -93.9 49.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.415 1.072 . . . . 0.0 109.246 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.779 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -44.9 -25.18 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.37 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.86 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.607 ' OD1' ' CE1' ' A' ' 6' ' ' TYR . 6.6 t-20 -63.84 -25.08 68.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.779 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -64.41 -55.35 21.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.778 ' O ' HD23 ' A' ' 41' ' ' LEU . 11.3 t0 -64.75 135.72 56.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 40' ' ' ASP . 34.4 mt -143.59 14.74 1.78 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 0.3 OUTLIER -152.81 20.79 0.6 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 38.1 mt-10 61.82 49.01 5.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.428 ' CB ' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -124.34 -37.38 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 135.49 -60.56 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.418 1.074 . . . . 0.0 111.03 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.82 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -140.51 -73.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 0.781 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.438 HG13 ' C ' ' A' ' 46' ' ' ARG . 4.8 m -153.52 146.9 14.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.428 ' OD1' ' CB ' ' A' ' 44' ' ' ASP . 33.5 m120 -120.43 -61.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.723 ' HA ' HD21 ' A' ' 52' ' ' LEU . 14.5 p -159.23 -40.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.115 . . . . 0.0 110.08 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 m -85.31 -27.83 25.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.449 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.649 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -70.9 -60.4 2.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.337 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.723 HD21 ' HA ' ' A' ' 49' ' ' SER . 3.1 pp -41.93 -46.42 4.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.65 ' N ' HD12 ' A' ' 52' ' ' LEU . . . -55.0 -75.6 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -45.56 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.865 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -58.06 -55.81 30.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.55 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -64.0 -6.53 6.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.02 -45.35 8.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.953 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -88.72 -30.79 18.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.953 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -74.59 -1.78 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -67.58 -50.14 59.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.243 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' CD ' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER 178.89 -32.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.226 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -67.45 -1.53 4.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.09 . . . . 0.0 110.243 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.506 HD12 ' HE1' ' A' ' 58' ' ' TYR . 6.8 tt -35.02 135.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.665 ' O ' HG22 ' A' ' 65' ' ' THR . 6.2 m-20 176.65 64.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 64' ' ' ASP . 0.6 OUTLIER 83.52 7.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.437 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.924 HD12 ' CE2' ' A' ' 58' ' ' TYR . 3.8 tt 58.45 110.94 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -74.98 57.81 4.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.509 ' H ' HD23 ' A' ' 66' ' ' LEU . 28.6 p90 -37.54 143.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -132.03 126.64 34.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -97.96 141.85 30.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.251 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ' CA' . . . . . 0.423 'CA ' ' HB3' ' A' ' 12' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.8 mtt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.444 0.164 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -140.98 165.47 27.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 t -143.62 127.46 17.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -154.83 86.8 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.546 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -174.72 149.52 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -148.43 136.79 21.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 58.78 49.44 77.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.135 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.454 ' O ' ' CG ' ' A' ' 35' ' ' ASN . 1.8 t0 -85.15 123.4 30.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.805 HG13 ' CG2' ' A' ' 34' ' ' ILE . 3.3 t -76.56 -61.2 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -103.13 29.3 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 48.04 42.5 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -96.42 -52.21 4.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -163.69 -47.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.564 1.165 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.657 ' HE2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -175.91 176.98 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 0.778 . . . . 0.0 109.346 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.718 HG21 ' HG2' ' A' ' 46' ' ' ARG . 7.2 p -94.48 108.06 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.447 ' ND2' ' CD ' ' A' ' 14' ' ' LYS . 1.6 p30 -148.19 -172.27 4.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.8 t -50.12 -22.24 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.402 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 99.1 m -70.23 -44.58 68.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 14' ' ' LYS . 89.4 m-20 -96.6 24.63 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 21' ' ' VAL . . . -65.23 -41.48 94.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' ALA . 2.8 t -39.62 -61.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.543 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -63.03 -41.38 99.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.863 HD11 HG22 ' A' ' 47' ' ' VAL . 2.1 tt -50.39 -60.28 3.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.374 1.046 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -42.15 -47.37 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -41.33 97.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.378 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.441 ' CD2' ' HD3' ' A' ' 46' ' ' ARG . 19.7 t80 -58.28 -54.22 49.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.422 ' H ' HG23 ' A' ' 27' ' ' VAL . 3.6 t -60.41 -45.77 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.09 -47.27 78.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.9 -176.37 3.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.246 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.45 81.3 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.06 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.94 -65.29 0.35 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.529 ' C ' HD12 ' A' ' 32' ' ' ILE . 2.7 pp -59.37 172.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 0.793 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.76 141.31 51.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.805 ' CG2' HG13 ' A' ' 9' ' ' VAL . 1.5 pt -150.54 178.39 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -81.38 43.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.651 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -39.38 -29.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.441 ' N ' ' C ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -43.38 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -100.4 42.15 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.651 ' HB2' ' HA ' ' A' ' 36' ' ' THR . . . -74.66 -97.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.607 ' O ' HD13 ' A' ' 41' ' ' LEU . 4.0 t0 -77.83 -175.65 4.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 40' ' ' ASP . 2.5 mm? -128.68 -47.21 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.549 ' ND2' ' OD1' ' A' ' 51' ' ' ASP . 5.6 m-80 -61.52 -16.94 52.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 6.7 tt0 80.58 49.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.4 -32.82 5.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.06 -66.99 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.718 ' HG2' HG21 ' A' ' 15' ' ' VAL . 6.9 mtp180 -152.92 -85.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 0.0 110.356 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.863 HG22 HD11 ' A' ' 23' ' ' LEU . 15.4 m -135.79 75.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 49' ' ' SER . 15.2 p30 -60.24 -31.29 70.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 158.75 -26.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.577 1.173 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.0 m -80.67 -35.62 33.5 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.677 ' HB3' HD23 ' A' ' 55' ' ' LEU . 4.3 m-20 -89.84 -24.61 21.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -40.33 -60.67 1.04 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -62.34 -49.32 75.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.485 HD11 ' CB ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -51.4 -41.58 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.273 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.78 ' O ' HG23 ' A' ' 59' ' ' ILE . 3.2 mm? -65.28 -61.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.408 ' CG ' ' HA2' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -61.98 -7.83 4.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.3 OUTLIER -89.51 -58.31 2.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.717 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -74.85 -24.19 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.78 HG23 ' O ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -90.14 -8.29 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.461 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -56.76 -33.62 66.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.461 ' CD ' ' HB3' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -177.41 -35.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -60.98 -7.9 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.556 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -27.82 109.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 109.224 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.436 ' N ' HD12 ' A' ' 63' ' ' ILE . 0.1 OUTLIER 161.42 -27.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.494 HG23 ' HD3' ' A' ' 67' ' ' PRO . 9.6 t -162.12 133.99 5.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.588 ' HG ' ' CD2' ' A' ' 58' ' ' TYR . 0.2 OUTLIER -125.45 71.12 64.85 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.494 ' HD3' HG23 ' A' ' 65' ' ' THR . 18.4 Cg_endo -74.99 -28.96 8.73 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.485 ' CB ' HD11 ' A' ' 54' ' ' ILE . 8.5 m-85 -36.34 127.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.15 118.94 19.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.25 91.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.234 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 mtt . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.531 0.205 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.54 91.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.054 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.4 t -164.39 131.21 3.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -120.68 90.17 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mp -118.77 148.14 43.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.668 ' CE2' HD22 ' A' ' 41' ' ' LEU . 62.0 t80 -116.96 96.54 5.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.502 ' HA3' ' C ' ' A' ' 38' ' ' ASN . . . 30.04 55.74 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.484 ' CB ' ' HA ' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -56.39 150.97 13.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 109.234 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.949 HG23 HG23 ' A' ' 15' ' ' VAL . 2.0 t -79.43 -59.51 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.403 ' OD1' ' OD2' ' A' ' 19' ' ' ASP . 6.0 p30 -105.52 17.64 23.53 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.484 ' HA ' ' CB ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER 48.64 54.37 10.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.51 ' CG ' ' N ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -120.69 -50.49 2.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.51 ' N ' ' CG ' ' A' ' 12' ' ' ASP . . . -138.26 -62.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.43 164.26 3.11 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.949 HG23 HG23 ' A' ' 9' ' ' VAL . 7.1 p -80.77 90.96 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.644 ' ND2' HD13 ' A' ' 59' ' ' ILE . 16.0 p-10 -147.0 -174.25 4.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 t -46.62 -39.38 11.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -54.01 -25.37 20.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' OD2' ' OD1' ' A' ' 10' ' ' ASN . 1.4 m-20 -110.48 21.75 16.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 24' ' ' LYS . . . -59.93 -20.52 57.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.13 -59.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.223 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.89 ' HB3' ' CG1' ' A' ' 9' ' ' VAL . . . -69.43 -50.88 41.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.697 HD22 HG13 ' A' ' 47' ' ' VAL . 3.8 tp -47.58 -56.46 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 13.8 ttpt -43.8 -46.9 7.97 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.478 1.111 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -34.78 78.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.658 ' CE1' ' NE ' ' A' ' 46' ' ' ARG . 8.3 t80 -71.26 -42.67 68.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.588 HG22 HH11 ' A' ' 46' ' ' ARG . 47.0 t -67.38 -38.52 80.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.0 mt -65.59 -40.54 92.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -165.43 161.14 18.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.281 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.68 73.23 6.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.068 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.18 -54.82 0.23 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.559 HD13 ' N ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -60.1 154.67 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.559 ' N ' HD13 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -107.68 126.97 53.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.071 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.569 HD11 ' HG2' ' A' ' 46' ' ' ARG . 9.1 pt -139.99 169.61 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.227 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -87.33 47.37 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.764 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 14.8 t -62.82 -8.65 7.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.24 -45.32 93.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.502 ' C ' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -121.1 34.22 5.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.764 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -104.66 -73.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.7 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -68.53 126.74 30.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.18 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 40' ' ' ASP . 4.7 mp -124.53 15.64 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.387 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -124.77 0.39 8.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 2.8 tt0 68.96 46.29 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.32 -36.84 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.437 ' HA3' ' NE ' ' A' ' 46' ' ' ARG . . . 148.29 -72.62 0.3 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.658 ' NE ' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -146.14 -63.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.773 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.697 HG13 HD22 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -162.97 92.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -79.53 -46.98 16.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.169 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 81.9 p 179.43 -36.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.952 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 m -67.71 -46.76 71.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.774 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.2 m-20 -65.65 -46.42 79.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.675 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -44.3 -59.76 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.63 -75.17 0.14 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -43.21 -47.06 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.774 HD12 ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -52.4 -60.2 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.646 ' O ' HD13 ' A' ' 60' ' ' LEU . 10.1 tttt -57.74 -10.48 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.431 ' N ' ' C ' ' A' ' 55' ' ' LEU . 0.6 OUTLIER -90.04 -46.48 8.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 1.158 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -90.17 -39.67 12.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.846 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.3 pp -59.85 -21.85 22.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.407 1.067 . . . . 0.0 109.24 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.646 HD13 ' O ' ' A' ' 56' ' ' LYS . 0.9 OUTLIER -49.26 -54.52 16.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -174.4 34.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.9 mt-10 -121.61 -6.74 9.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.256 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.502 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 1.9 tp -40.19 116.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 5.9 m-20 156.35 -25.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.02 -46.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.516 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.158 HD12 ' CE2' ' A' ' 58' ' ' TYR . 1.0 OUTLIER 67.01 106.62 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -74.97 62.68 5.88 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.491 1.785 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.439 ' C ' ' O ' ' A' ' 67' ' ' PRO . 18.2 p90 -34.48 131.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.32 137.07 48.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -110.11 101.74 10.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.508 0.194 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -179.34 149.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 t -156.31 117.99 3.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 110.386 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.81 83.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.665 HD12 ' OD2' ' A' ' 8' ' ' ASP . 2.3 pt? -167.17 138.0 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -136.34 128.29 29.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.673 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 64.2 57.15 14.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.095 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.665 ' OD2' HD12 ' A' ' 5' ' ' LEU . 3.8 t0 -91.86 145.54 24.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 0.72 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.656 ' CG2' HG23 ' A' ' 15' ' ' VAL . 1.4 t -94.33 -56.37 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -102.2 17.6 22.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 49.35 48.43 21.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.1 -47.39 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.73 -57.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.399 1.062 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.79 160.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.969 ' O ' HD22 ' A' ' 55' ' ' LEU . 10.1 p -77.72 112.97 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 19' ' ' ASP . 7.3 p-10 -151.62 -174.0 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.369 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -48.45 -23.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.7 m -73.28 -31.56 64.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.386 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 16' ' ' ASN . 0.6 OUTLIER -102.04 16.95 24.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.438 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -59.43 -41.18 88.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' ALA . 95.7 t -39.74 -60.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.518 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . . . -67.89 -29.86 69.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.6 tp -58.57 -60.25 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -45.74 -45.14 14.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -62.87 -34.39 77.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.651 ' CD1' ' NE ' ' A' ' 46' ' ' ARG . 10.9 t80 -80.05 -32.29 39.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 23' ' ' LEU . 21.8 t -71.47 -49.73 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.96 -41.89 64.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.568 1.168 . . . . 0.0 109.345 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.86 172.25 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.75 95.13 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.032 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.64 -44.1 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 19.3 tt -59.52 163.72 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.527 0.781 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.74 124.93 53.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pt -150.01 158.28 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -81.73 55.59 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 t -68.29 -8.04 36.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.02 -59.07 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.365 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 7' ' ' GLY . 3.2 p-10 -115.96 63.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.462 ' HA ' ' CA ' ' A' ' 7' ' ' GLY . . . -122.79 -84.82 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.23 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.556 ' O ' HD12 ' A' ' 41' ' ' LEU . 5.3 t70 -41.42 133.53 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -139.26 13.82 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.265 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.464 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 0.3 OUTLIER -143.96 15.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 34.2 mt-10 62.78 50.49 3.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.426 ' OD2' ' HB2' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -125.58 -36.51 2.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.448 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 127.8 -58.04 0.7 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.717 HH12 HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -145.48 -88.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 0.748 . . . . 0.0 110.314 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.76 ' CG1' HD13 ' A' ' 55' ' ' LEU . 27.4 m -139.11 102.22 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -78.96 -39.83 33.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.61 -36.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -81.48 -60.72 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.38 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.724 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -43.65 -53.91 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -39.54 -47.45 1.9 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.71 -53.14 47.55 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.585 HD12 ' CG ' ' A' ' 68' ' ' TYR . 10.9 mm -58.33 -44.98 89.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 0.732 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.969 HD22 ' O ' ' A' ' 15' ' ' VAL . 1.1 mp -56.96 -61.49 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.762 ' O ' HD13 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -59.87 -8.4 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.431 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -91.42 -50.79 5.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.377 1.048 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 1.032 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -86.75 -25.51 24.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.939 HG22 ' CE1' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -81.42 -14.77 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.762 HD13 ' O ' ' A' ' 56' ' ' LYS . 5.4 tp -49.99 -39.72 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.699 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -179.28 -34.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.442 1.089 . . . . 0.0 109.363 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.653 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.3 tt0 -55.46 -13.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.345 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.699 HG22 ' O ' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -16.0 110.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.445 ' N ' HD12 ' A' ' 63' ' ' ILE . 6.9 p-10 -176.81 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.898 HG23 ' HD3' ' A' ' 67' ' ' PRO . 15.4 t -170.32 157.37 6.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.032 HD12 ' CE2' ' A' ' 58' ' ' TYR . 6.7 tt -126.26 70.49 69.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.898 ' HD3' HG23 ' A' ' 65' ' ' THR . 18.1 Cg_endo -75.02 -25.05 12.19 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.444 1.76 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.585 ' CG ' HD12 ' A' ' 54' ' ' ILE . 42.5 m-85 -39.08 137.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.19 142.07 14.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.229 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.6 p30 177.46 164.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.431 1.082 . . . . 0.0 111.034 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 mtt . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.544 0.211 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.94 108.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.419 1.074 . . . . 0.0 110.017 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.744 HG22 ' O ' ' A' ' 3' ' ' THR . 1.2 m -165.38 65.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.05 106.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 5' ' ' LEU . 1.6 pt? -174.23 130.58 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.592 ' CE1' ' OD1' ' A' ' 38' ' ' ASN . 28.3 t80 -139.45 110.58 6.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.392 1.058 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 83.79 48.2 5.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 13' ' ' GLY . 2.9 t0 -86.33 121.14 28.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 0.726 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.799 HG11 ' HB3' ' A' ' 22' ' ' ALA . 4.8 t -73.44 -61.23 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 5.6 p30 -103.56 30.44 5.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.601 1.188 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.428 ' HA ' ' CG ' ' A' ' 8' ' ' ASP . 2.8 m-20 47.62 46.58 17.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -101.44 -54.89 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.461 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -160.73 -47.1 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.43 -176.84 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.504 HG23 ' CG2' ' A' ' 9' ' ' VAL . 7.3 p -104.58 102.98 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.437 ' OD1' HG21 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -146.82 -163.02 1.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.8 t -58.0 -17.32 16.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.7 m -72.22 -48.63 41.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.446 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.5 m-20 -93.56 23.12 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.426 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -59.51 -36.66 76.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.573 HG23 ' H ' ' A' ' 22' ' ' ALA . 12.1 m -45.76 -58.59 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.799 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -69.63 -22.36 63.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.808 HD11 HG22 ' A' ' 47' ' ' VAL . 1.5 tp -66.77 -59.42 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.37 -43.29 16.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -32.37 72.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 3.7 t80 -85.97 -33.63 21.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.88 -46.09 94.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -51.47 61.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -155.49 148.42 24.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.4 t -81.92 70.67 8.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.976 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.04 -37.5 1.03 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.511 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 15.1 tt -59.84 163.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 0.789 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.1 119.21 38.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.961 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.916 HD11 ' HD2' ' A' ' 46' ' ' ARG . 4.2 pt -151.03 171.38 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.176 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.664 ' ND2' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -83.87 41.54 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.846 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 1.2 t -38.3 -29.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 110.426 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 35' ' ' ASN . 2.6 m-20 -56.74 -67.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.592 ' OD1' ' CE1' ' A' ' 6' ' ' TYR . 8.0 t30 -75.39 -3.66 34.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.846 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -85.31 -66.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 46.5 t0 -59.7 146.53 40.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.433 ' CD2' ' OH ' ' A' ' 6' ' ' TYR . 9.9 mt -146.7 -49.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 39.6 p-10 -79.99 0.29 32.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 1.7 tt0 80.23 41.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -114.25 -34.83 5.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.41 ' C ' ' HD3' ' A' ' 46' ' ' ARG . . . 134.74 -57.47 0.69 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.445 1.091 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.916 ' HD2' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -148.42 -80.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 0.0 110.343 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.808 HG22 HD11 ' A' ' 23' ' ' LEU . 13.1 m -150.67 78.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.402 1.064 . . . . 0.0 109.25 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 49' ' ' SER . 3.0 p-10 -63.3 -29.89 71.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 159.15 -26.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.055 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.2 m -81.48 -44.28 17.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.92 -32.02 45.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.651 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -41.18 -52.57 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -57.96 -68.99 1.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.68 HD11 ' O ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -40.04 -45.27 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.818 ' O ' HG23 ' A' ' 59' ' ' ILE . 2.1 mm? -56.84 -61.67 2.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.51 ' O ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -66.55 -3.31 6.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -90.31 -47.41 7.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.964 ' CD2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -91.26 -40.61 11.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.874 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.1 pp -58.08 -17.74 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 56' ' ' LYS . 2.7 tp -52.41 -59.51 4.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.92 34.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' ILE . 15.1 mt-10 -124.36 -0.11 8.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.506 HD12 ' HE1' ' A' ' 58' ' ' TYR . 0.2 OUTLIER -39.53 121.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 169.2 -54.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 t -123.98 -37.81 2.54 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.964 HD12 ' CD2' ' A' ' 58' ' ' TYR . 0.2 OUTLIER 67.91 115.8 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.598 1.186 . . . . 0.0 109.332 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.68 ' O ' HD11 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.04 62.38 5.88 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.481 1.78 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.532 ' CD2' ' HB2' ' A' ' 69' ' ' LYS . 34.4 p90 -31.94 -43.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.532 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -105.29 139.42 39.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -150.03 -58.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ' CA' . . . . . 0.428 'CA ' ' HB3' ' A' ' 12' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.3 mtt . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.483 0.183 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.51 -179.49 5.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.977 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.2 p -98.02 -165.76 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.365 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.528 ' C ' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.84 177.83 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.609 ' HA ' HD11 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -178.94 170.65 1.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.893 ' CD2' HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -137.38 113.76 10.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.579 ' H ' ' ND2' ' A' ' 38' ' ' ASN . . . 34.15 58.97 0.63 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.432 1.082 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.534 ' HB2' HD12 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -57.16 151.63 15.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.984 ' CG2' HG23 ' A' ' 15' ' ' VAL . 57.9 t -88.87 -54.89 7.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.432 ' C ' ' CG ' ' A' ' 11' ' ' ASP . 2.1 p30 -116.12 24.62 11.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.432 ' CG ' ' C ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER 48.88 52.62 13.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.64 -33.06 6.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.416 ' C ' ' HG3' ' A' ' 14' ' ' LYS . . . -174.34 -59.69 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.45 ' CD ' ' OD1' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -167.19 168.43 13.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.347 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.984 HG23 ' CG2' ' A' ' 9' ' ' VAL . 9.5 p -86.39 111.71 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 0.2 OUTLIER -160.43 -174.2 4.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.373 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.1 t -47.47 -31.22 4.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.983 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.1 m -57.61 -25.88 60.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.436 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -114.41 23.15 13.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.64 -16.9 29.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.242 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.8 t -62.95 -60.34 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.903 ' HB1' HD13 ' A' ' 32' ' ' ILE . . . -69.24 -51.26 39.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.722 HD13 HG22 ' A' ' 47' ' ' VAL . 1.3 tp -43.8 -57.04 3.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.71 -45.87 29.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -26.54 67.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.679 ' CE1' ' NH1' ' A' ' 46' ' ' ARG . 1.5 t80 -77.35 -59.41 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.6 t -49.98 -41.24 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.225 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -48.28 75.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -162.05 163.33 28.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.1 p -95.99 109.63 21.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.05 -59.9 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.451 1.094 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.903 HD13 ' HB1' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -60.0 158.11 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.59 119.47 39.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.894 HD11 ' HD3' ' A' ' 46' ' ' ARG . 4.2 pt -136.94 176.61 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.406 ' CG ' ' O ' ' A' ' 8' ' ' ASP . 1.1 m120 -93.71 60.65 3.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.484 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 2.9 t -68.93 -7.48 35.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.413 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.56 -65.47 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.579 ' ND2' ' H ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -105.95 42.25 1.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.484 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -94.58 -86.47 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.78 ' O ' HD13 ' A' ' 41' ' ' LEU . 4.0 t70 -77.13 143.89 38.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.1 mm? -125.63 35.37 4.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.407 ' OD1' ' OD1' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -138.33 10.47 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.421 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 0.7 OUTLIER 62.36 50.68 3.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.473 ' CB ' ' OD1' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -124.03 -38.44 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.49 ' CA ' ' NH1' ' A' ' 46' ' ' ARG . . . 147.62 -73.54 0.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.575 1.172 . . . . 0.0 111.014 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.894 ' HD3' HD11 ' A' ' 34' ' ' ILE . 2.0 mtm-85 -137.21 -83.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.722 HG22 HD13 ' A' ' 23' ' ' LEU . 20.8 m -141.03 120.54 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.473 ' OD1' ' CB ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -99.82 -44.68 5.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.1 t 179.44 -36.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.531 1.144 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.4 m -75.94 -38.79 57.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 110.384 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 52' ' ' LEU . 1.5 m-20 -67.14 -58.48 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -39.18 -42.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.29 -70.44 0.97 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 68' ' ' TYR . 0.3 OUTLIER -52.82 -39.56 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.821 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -60.26 -59.39 5.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -61.3 -8.18 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.405 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -90.45 -48.7 6.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 1.203 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -87.46 -40.02 14.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.943 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.3 pp -57.94 -17.26 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -32.0 62.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.78 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.488 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 mt-10 -54.57 -15.87 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.075 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.691 HD12 ' HE1' ' A' ' 58' ' ' TYR . 0.5 OUTLIER -33.09 110.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.44 ' OD1' ' CE ' ' A' ' 4' ' ' LYS . 2.0 t70 166.28 -54.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 t -118.46 -34.15 4.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.203 HD12 ' CE2' ' A' ' 58' ' ' TYR . 1.2 tt 66.06 109.39 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -75.03 61.69 5.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.504 ' CD2' ' N ' ' A' ' 69' ' ' LYS . 25.1 p90 -35.83 -48.19 0.55 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.396 1.06 . . . . 0.0 110.974 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.504 ' N ' ' CD2' ' A' ' 68' ' ' TYR . 10.4 ttmt 60.47 115.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.6 142.29 51.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.9 mtt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.435 0.16 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.49 126.4 19.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.0 p -110.62 -170.66 1.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.425 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.55 137.34 50.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.666 HD23 ' N ' ' A' ' 5' ' ' LEU . 1.4 pt? -176.24 154.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.972 ' CE1' HD21 ' A' ' 41' ' ' LEU . 2.4 t80 -150.36 124.99 9.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.39 1.056 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.65 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 63.73 61.79 5.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.579 1.175 . . . . 0.0 111.024 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.78 150.15 21.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 109.375 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.877 ' CG2' HG23 ' A' ' 15' ' ' VAL . 84.4 t -99.22 -56.04 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.375 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.42 ' O ' ' CG ' ' A' ' 11' ' ' ASP . 1.4 p30 -108.01 25.18 11.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 10' ' ' ASN . 3.8 p-10 48.76 41.48 18.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.33 -51.8 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.93 -48.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' CD ' ' HB ' ' A' ' 59' ' ' ILE . 0.4 OUTLIER 179.59 168.08 1.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 0.754 . . . . 0.0 109.236 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.877 HG23 ' CG2' ' A' ' 9' ' ' VAL . 14.7 p -85.23 110.14 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.456 HD22 ' N ' ' A' ' 16' ' ' ASN . 0.4 OUTLIER -149.55 -173.96 4.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 t -48.56 -23.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.2 m -69.82 -42.28 73.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 110.412 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -92.48 25.45 3.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.452 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -62.35 -38.74 90.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.24 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ALA . 71.1 t -40.67 -60.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.753 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -68.89 -30.53 69.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.796 HD11 HG22 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -57.89 -60.37 3.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -46.11 -47.23 17.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.406 1.066 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 29' ' ' ARG . 1.1 mtt-85 -62.78 -32.73 73.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 2.9 t80 -73.14 -45.73 55.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 23' ' ' LEU . 20.2 t -59.63 -46.71 92.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 109.328 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.63 -45.13 92.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -172.91 178.57 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.267 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.59 96.01 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -134.85 -50.06 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.724 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 1.1 pt -59.84 157.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m -101.13 120.97 40.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.688 ' CG2' HD12 ' A' ' 32' ' ' ILE . 2.9 pt -141.39 178.7 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.84 64.79 1.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.412 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 5.5 t -66.98 -11.08 55.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' THR . 2.8 m-20 -39.67 -72.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.18 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.406 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.8 OUTLIER -110.65 55.53 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' HA ' ' CA ' ' A' ' 7' ' ' GLY . . . -109.25 -73.03 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -54.4 138.18 40.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.972 HD21 ' CE1' ' A' ' 6' ' ' TYR . 3.4 mt -134.46 -46.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.47 ' ND2' ' OD2' ' A' ' 44' ' ' ASP . 47.8 p-10 -81.75 5.35 18.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 66.7 36.42 4.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.47 ' OD2' ' ND2' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -113.86 -31.97 6.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 143.82 -68.21 0.43 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -147.71 -77.76 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 0.79 . . . . 0.0 110.235 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.893 ' CG1' HD13 ' A' ' 55' ' ' LEU . 1.8 m -140.71 75.93 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.73 -46.9 87.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.89 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.0 m -86.65 -37.91 17.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.142 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.492 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -65.51 -49.87 67.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.492 HD11 ' HD2' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -46.14 -49.38 16.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.419 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -52.97 -24.99 22.52 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.472 ' CD1' ' HD2' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -90.38 -43.55 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.893 HD13 ' CG1' ' A' ' 47' ' ' VAL . 1.7 mp -64.54 -54.18 36.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.605 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -61.85 -5.91 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.244 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.439 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -90.82 -48.57 6.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.952 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -90.35 -27.35 19.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.952 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -78.54 0.36 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.61 1.193 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -71.45 -53.73 12.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -176.97 -32.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.5 mt-10 -71.2 5.03 2.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.207 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.479 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -33.96 131.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 1.9 m-20 158.98 57.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 0.0 109.372 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 64' ' ' ASP . 24.7 m 73.7 77.23 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.392 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.821 HD12 ' CE2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -40.4 160.4 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.472 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.02 -12.89 21.48 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.58 1.831 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.496 ' HB2' HD23 ' A' ' 66' ' ' LEU . 12.7 t80 31.96 83.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -104.41 105.47 15.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.67 -58.71 6.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 109.351 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.475 0.179 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.6 161.09 42.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.067 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.4 m -130.21 133.29 46.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.441 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -50.89 148.05 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.797 HD22 ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -164.22 147.75 9.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -145.55 110.95 5.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.669 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 80.38 59.38 2.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.583 ' OD2' HD23 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -91.83 151.01 20.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.995 ' CG2' HG23 ' A' ' 15' ' ' VAL . 55.3 t -96.31 -60.36 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -109.06 27.36 9.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.407 ' CG ' HD22 ' A' ' 35' ' ' ASN . 5.5 m-20 49.8 50.25 18.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.02 -51.71 2.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.413 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -160.36 -47.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.615 ' HG3' HG21 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -177.06 167.62 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 0.0 109.343 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.995 HG23 ' CG2' ' A' ' 9' ' ' VAL . 12.6 p -86.39 111.87 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.481 ' ND2' HG22 ' A' ' 18' ' ' THR . 1.0 OUTLIER -160.01 -173.03 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.443 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . 10.9 t -41.87 -43.28 2.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 109.955 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.481 HG22 ' ND2' ' A' ' 16' ' ' ASN . 3.1 t -46.74 -39.34 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.476 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.439 ' HB3' HG11 ' A' ' 9' ' ' VAL . 6.1 m-20 -104.42 29.94 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.593 1.183 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . -65.95 -15.41 62.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.344 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.5 t -76.65 -60.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.681 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -66.44 -19.47 65.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.732 HD13 ' C ' ' A' ' 23' ' ' LEU . 1.7 tm? -78.78 -60.26 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.438 ' N ' HD13 ' A' ' 23' ' ' LEU . 1.5 ttpt -49.74 -29.28 7.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -72.79 -31.81 65.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.712 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 5.3 t80 -84.6 -40.87 16.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.481 HG23 HH22 ' A' ' 46' ' ' ARG . 0.3 OUTLIER -68.76 -36.23 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.9 tp -77.65 -17.12 58.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.142 . . . . 0.0 109.382 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 176.19 119.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.8 p -69.61 76.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.989 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.421 ' N ' ' HD3' ' A' ' 29' ' ' ARG . . . -128.38 -42.48 0.25 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.587 1.18 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.516 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 4.0 tt -59.5 155.89 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.409 ' N ' HG12 ' A' ' 32' ' ' ILE . 27.8 p -100.96 120.63 40.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.956 HD11 ' HD2' ' A' ' 46' ' ' ARG . 3.6 pt -146.04 153.47 13.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.407 HD22 ' CG ' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -69.81 63.15 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.595 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 14.1 t -70.74 -4.22 22.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.414 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.3 -62.17 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.478 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -119.59 45.93 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -101.64 -53.85 2.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.525 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 4.2 t70 -66.96 141.39 57.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mt -143.68 14.81 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.438 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.0 m120 -145.61 11.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.502 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 3.1 tt0 67.33 47.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -126.81 -35.85 2.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.525 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 134.06 -54.6 0.76 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.956 ' HD2' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -149.83 -87.19 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.586 HG22 ' HG ' ' A' ' 23' ' ' LEU . 6.0 m -140.16 139.5 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.91 -44.48 2.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.513 ' O ' ' CD1' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -178.26 -36.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.5 m -97.71 -27.72 14.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.478 ' CB ' ' HA ' ' A' ' 47' ' ' VAL . 0.2 OUTLIER -64.29 -58.18 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.18 . . . . 0.0 109.244 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.926 HD13 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -44.7 -36.92 3.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.926 ' N ' HD13 ' A' ' 52' ' ' LEU . . . -53.78 -34.81 51.5 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.528 1.142 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.759 HG22 HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -80.43 -48.95 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.34 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.764 ' O ' HG23 ' A' ' 59' ' ' ILE . 4.2 mm? -52.01 -61.44 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.95 -14.16 5.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -88.05 -60.87 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 110.251 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.988 ' CD2' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -67.99 -25.64 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.764 HG23 ' O ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -88.97 0.81 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.77 -34.39 76.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.482 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER 179.45 -34.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.49 ' O ' ' C ' ' A' ' 63' ' ' ILE . 10.9 mm-40 -59.34 -11.36 4.11 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.56 1.162 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.541 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -33.28 120.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER 152.55 -54.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 t -120.19 -32.23 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.988 HD12 ' CD2' ' A' ' 58' ' ' TYR . 0.1 OUTLIER 64.51 100.94 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.0 60.63 5.49 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 67' ' ' PRO . 24.9 p90 -35.85 151.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.85 128.58 0.93 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.224 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -45.08 -47.82 11.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.4 mtm . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.465 0.174 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.23 -77.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.94 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 4' ' ' LYS . 0.9 OUTLIER -176.64 -175.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.412 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' N ' HG23 ' A' ' 3' ' ' THR . 29.2 mttt 59.77 95.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.433 ' CD1' ' OD1' ' A' ' 11' ' ' ASP . 1.1 pt? -173.02 129.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 1.013 ' CZ ' HD13 ' A' ' 41' ' ' LEU . 28.5 t80 -133.34 95.12 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 67.38 41.03 91.57 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.445 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 6.8 t0 -59.41 154.01 17.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 0.797 . . . . 0.0 109.225 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.675 HG11 ' HB3' ' A' ' 22' ' ' ALA . 21.7 t -90.17 -60.84 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.467 ' ND2' ' OD2' ' A' ' 12' ' ' ASP . 8.1 p30 -88.43 -13.67 39.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.433 ' OD1' ' CD1' ' A' ' 5' ' ' LEU . 6.8 t0 70.66 50.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.467 ' OD2' ' ND2' ' A' ' 10' ' ' ASN . 0.9 OUTLIER -118.2 -34.34 4.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 12' ' ' ASP . . . -150.71 -67.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -171.98 158.88 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.647 HG13 ' CD1' ' A' ' 55' ' ' LEU . 2.7 p -78.71 114.78 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 14' ' ' LYS . 1.1 p30 -160.19 -174.36 4.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 t -48.59 -23.36 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.403 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 94.1 m -70.56 -34.69 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.423 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.457 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 63.4 m-20 -92.83 25.53 3.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.59 -35.25 75.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.2 t -47.84 -60.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.675 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -67.48 -19.73 65.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.775 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.6 tp -72.46 -61.82 1.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.378 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -40.45 -40.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -43.35 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.703 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 5.3 t80 -67.85 -31.8 71.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 23' ' ' LEU . 24.0 t -70.35 -51.65 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.393 1.058 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -27.96 50.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' NH1' ' CA ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 178.26 173.35 0.64 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.18 86.19 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.067 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.473 ' CA ' ' NH1' ' A' ' 29' ' ' ARG . . . -133.05 -41.88 0.17 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 20.0 tt -59.1 157.77 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 0.784 . . . . 0.0 109.349 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -99.49 119.99 38.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.731 HD11 ' HD2' ' A' ' 46' ' ' ARG . 2.4 pt -148.77 159.54 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.976 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 1.7 m-80 -65.33 73.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.5 OUTLIER -70.92 -0.43 9.21 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.44 -75.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.238 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.508 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -111.62 29.16 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.976 ' HB2' ' O ' ' A' ' 35' ' ' ASN . . . -68.51 -52.39 32.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.504 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 4.6 t70 -88.85 143.28 27.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 1.013 HD13 ' CZ ' ' A' ' 6' ' ' TYR . 2.1 mp -142.51 17.25 2.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 1.0 OUTLIER -146.62 18.33 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.266 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 57.32 33.69 23.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.412 ' OD2' ' OD1' ' A' ' 51' ' ' ASP . 10.4 m-20 -115.04 -31.83 5.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.504 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 126.35 -56.9 0.71 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.731 ' HD2' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -156.88 -95.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 110.22 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.78 ' O ' HG23 ' A' ' 47' ' ' VAL . 6.8 m -130.93 82.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -77.02 -37.56 54.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.896 ' HA ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER 169.57 -34.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 109.944 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -79.88 -40.52 28.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.584 1.178 . . . . 0.0 110.361 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.506 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -75.92 -39.23 56.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.08 . . . . 0.0 109.244 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.896 HD23 ' HA ' ' A' ' 49' ' ' SER . 0.2 OUTLIER -38.97 -46.62 1.35 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -52.45 -83.55 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.552 HG22 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -43.12 -44.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.387 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.787 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -53.69 -59.8 4.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.533 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -69.87 -5.45 25.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -91.71 -41.48 10.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.891 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -88.93 -41.69 12.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.891 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.6 pp -59.7 -23.93 27.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -45.39 -36.26 4.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.12 -34.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 63' ' ' ILE . 2.0 mt-10 -50.73 -18.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.512 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -31.11 100.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 62' ' ' GLU . 17.9 t0 170.43 -32.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.6 t -147.54 -45.58 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.42 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.842 ' O ' HD23 ' A' ' 66' ' ' LEU . 0.0 OUTLIER 69.64 102.34 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 68' ' ' TYR . 18.6 Cg_endo -74.87 60.42 5.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.77 . . . . 0.0 111.095 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.472 ' CD2' ' N ' ' A' ' 69' ' ' LYS . 26.0 p90 -33.93 -47.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.472 ' N ' ' CD2' ' A' ' 68' ' ' TYR . 1.3 ttmm -45.78 107.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -139.7 159.86 41.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.3 mtt . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.491 0.186 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.51 171.35 4.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -145.31 132.38 20.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.462 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.2 106.73 3.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.586 HD12 ' HB2' ' A' ' 8' ' ' ASP . 1.9 pt? -174.7 160.66 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.233 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.763 ' CE1' HD21 ' A' ' 41' ' ' LEU . 2.2 t80 -148.88 115.14 5.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.528 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 56.22 61.9 6.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.563 1.165 . . . . 0.0 110.969 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.586 ' HB2' HD12 ' A' ' 5' ' ' LEU . 4.0 t0 -80.48 150.8 29.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.941 ' CG2' HG23 ' A' ' 15' ' ' VAL . 62.0 t -94.63 -60.21 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -106.06 24.12 12.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.235 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 t70 50.06 49.49 20.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.0 -49.53 3.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.18 -52.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.82 161.06 1.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.941 HG23 ' CG2' ' A' ' 9' ' ' VAL . 14.3 p -77.57 114.52 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 7.1 p-10 -152.41 -175.4 5.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -49.91 -22.16 1.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.993 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.2 m -68.57 -35.3 77.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.423 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -100.18 21.88 12.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.73 -32.86 74.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.3 t -48.91 -60.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.796 ' HB1' HD13 ' A' ' 32' ' ' ILE . . . -66.07 -19.79 65.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.71 HD22 HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -72.62 -59.76 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -40.43 -43.97 1.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.386 1.054 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 29' ' ' ARG . 3.3 mtt-85 -67.62 -40.93 84.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 23' ' ' LEU . 33.6 t80 -59.87 -54.78 42.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.71 HG23 HD22 ' A' ' 23' ' ' LEU . 4.2 t -55.86 -49.23 76.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -53.99 52.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -153.86 -179.96 8.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.301 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.3 p -115.49 74.64 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.72 -54.65 0.56 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.829 HD12 HG23 ' A' ' 34' ' ' ILE . 1.1 pt -59.78 179.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 t -130.81 128.28 40.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.972 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.829 HG23 HD12 ' A' ' 32' ' ' ILE . 2.7 pt -142.07 155.24 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -69.71 66.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.567 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 1.7 t -65.68 -11.65 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.173 . . . . 0.0 110.436 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.97 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.528 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -109.97 39.07 2.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 45' ' ' GLY . . . -69.98 -82.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.483 ' HB2' ' CA ' ' A' ' 46' ' ' ARG . 8.8 t0 -91.89 164.93 13.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.763 HD21 ' CE1' ' A' ' 6' ' ' TYR . 2.2 mm? -113.3 -26.17 8.5 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 5.8 m120 -71.48 -16.26 62.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 2.4 tt0 81.46 50.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.88 -36.53 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.57 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . 159.87 -65.61 0.28 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.11 . . . . 0.0 111.059 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.837 ' HB2' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -161.8 -61.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.424 0.72 . . . . 0.0 110.335 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.516 HG23 ' HG ' ' A' ' 23' ' ' LEU . 1.1 m -141.41 113.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.1 -50.76 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.516 ' O ' ' CD1' ' A' ' 52' ' ' LEU . 0.4 OUTLIER 172.45 -32.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 1.178 . . . . 0.0 110.014 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.6 m -100.36 -14.44 18.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -90.25 -47.5 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.938 HD13 ' H ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -49.93 -37.64 32.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.611 1.195 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.938 ' H ' HD13 ' A' ' 52' ' ' LEU . . . -51.96 -44.91 56.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.427 1.08 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.72 HD12 ' CE2' ' A' ' 68' ' ' TYR . 0.7 OUTLIER -72.21 -35.28 52.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.444 0.732 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.89 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -65.48 -61.62 1.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.82 -6.15 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.467 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -90.69 -54.46 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.952 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -84.3 -28.64 26.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.952 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 0.8 OUTLIER -76.02 -18.93 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 tp -40.78 -35.56 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER 178.68 -29.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.204 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.6 mt-10 -78.16 25.74 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -33.87 143.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.741 ' HB2' HD12 ' A' ' 63' ' ' ILE . 9.6 t0 89.6 -27.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.418 ' C ' ' HD3' ' A' ' 67' ' ' PRO . 9.2 m -79.33 52.05 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.935 HD12 ' CE2' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -122.0 75.11 38.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.375 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.418 ' HD3' ' C ' ' A' ' 65' ' ' THR . 18.2 Cg_endo -74.97 -30.84 6.78 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.551 1.816 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.72 ' CE2' HD12 ' A' ' 54' ' ' ILE . 38.1 m-85 -47.31 135.66 10.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -162.15 67.58 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 178.93 -43.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.426 1.079 . . . . 0.0 110.996 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.2 mtt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.474 0.178 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.418 ' O ' ' HB ' ' A' ' 3' ' ' THR . 0.4 OUTLIER -60.3 150.56 30.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.041 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 2' ' ' SER . 0.4 OUTLIER 177.6 153.82 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.42 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.61 ' HB3' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -131.58 136.09 47.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.272 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.748 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -148.68 164.05 35.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.631 ' O ' HG12 ' A' ' 15' ' ' VAL . 10.0 t80 -130.76 109.97 10.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.706 ' H ' ' ND2' ' A' ' 38' ' ' ASN . . . 37.58 55.03 1.72 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 11' ' ' ASP . 6.0 t0 -61.94 154.36 26.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.691 ' CG1' ' HB3' ' A' ' 22' ' ' ALA . 99.4 t -88.47 -60.71 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.448 ' ND2' ' OD2' ' A' ' 12' ' ' ASP . 11.8 p30 -90.82 -13.95 32.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 14.8 t0 71.38 50.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.448 ' OD2' ' ND2' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -116.89 -33.07 4.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.404 ' C ' ' OD2' ' A' ' 8' ' ' ASP . . . -152.91 -67.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.579 ' HE2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -173.75 150.58 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.765 . . . . 0.0 109.341 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.838 HG13 ' CD2' ' A' ' 55' ' ' LEU . 2.7 p -61.63 117.25 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.507 ' HB3' HD12 ' A' ' 59' ' ' ILE . 52.3 p30 -159.88 -165.3 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 41.8 t -59.08 -41.52 88.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.6 m -53.34 -26.43 19.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -96.88 18.31 14.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 109.36 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.587 ' HA ' HD22 ' A' ' 23' ' ' LEU . . . -61.68 -32.9 73.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 t -53.25 -61.14 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.691 ' HB3' ' CG1' ' A' ' 9' ' ' VAL . . . -65.88 -48.1 72.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.874 HD23 ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -49.51 -54.43 17.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.874 ' N ' HD23 ' A' ' 23' ' ' LEU . 63.7 tttt -44.2 -47.64 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.25 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HB2' HG21 ' A' ' 32' ' ' ILE . 17.5 mmm180 -65.07 -34.56 78.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.115 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.651 ' CE1' ' NE ' ' A' ' 46' ' ' ARG . 34.2 t80 -74.91 -32.1 61.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 23' ' ' LEU . 31.6 t -75.87 -51.52 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -34.33 62.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.82 173.42 4.53 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -106.44 85.78 2.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.555 1.159 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.72 -44.75 0.08 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 17.2 tt -59.96 154.6 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.415 ' C ' ' CG2' ' A' ' 34' ' ' ILE . 84.2 p -99.79 118.67 36.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.93 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.415 ' CG2' ' C ' ' A' ' 33' ' ' SER . 0.5 OUTLIER -150.22 151.0 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.69 67.91 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.595 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 4.3 t -86.04 24.78 1.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -88.28 -39.18 14.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.706 ' ND2' ' H ' ' A' ' 7' ' ' GLY . 1.7 p-10 -121.61 12.8 10.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -85.78 -29.34 23.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.861 ' O ' HD13 ' A' ' 41' ' ' LEU . 46.8 t0 -98.47 129.7 45.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.861 HD13 ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -128.57 -42.54 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -84.33 6.85 21.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 65.85 43.95 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.8 p30 -116.19 -36.96 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 46' ' ' ARG . . . 144.45 -71.17 0.38 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.651 ' NE ' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -145.15 -82.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 1.113 HG12 HD13 ' A' ' 55' ' ' LEU . 15.6 m -139.18 75.41 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' CG ' ' N ' ' A' ' 49' ' ' SER . 8.3 p30 -61.53 -47.93 83.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 48' ' ' ASN . 3.1 t 178.4 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 110.083 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.07 -40.13 47.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.63 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -74.41 -41.62 60.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 47' ' ' VAL . 0.2 OUTLIER -40.22 -61.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -52.37 -58.83 9.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -48.27 -50.55 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.345 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 1.113 HD13 HG12 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -59.39 -60.59 3.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' HA ' HG12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.07 -7.94 2.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -91.95 -47.94 7.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 1.189 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -85.51 -39.57 17.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.954 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.2 pt -62.11 -13.85 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.427 1.079 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tp -56.37 -33.15 65.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.97 -36.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.509 ' O ' ' C ' ' A' ' 63' ' ' ILE . 55.5 mm-40 -51.86 -19.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.744 HD13 ' C ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -30.99 108.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 4.8 m-20 156.9 -23.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.9 t -139.05 -46.09 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.189 HD12 ' CE2' ' A' ' 58' ' ' TYR . 3.7 tt 66.17 104.64 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 61.45 5.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.526 ' H ' HD23 ' A' ' 66' ' ' LEU . 4.4 p90 -39.93 161.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.27 125.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -63.47 131.4 48.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 120.476 0.179 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.09 164.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.7 p -127.87 -172.75 2.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.42 123.75 35.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.772 HD22 ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -167.5 148.7 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.244 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.602 ' CE1' HD21 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -147.65 119.02 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 64.43 59.93 7.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.704 ' HB2' HD23 ' A' ' 5' ' ' LEU . 3.5 t0 -89.73 121.03 31.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.789 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.756 HG11 ' NH2' ' A' ' 46' ' ' ARG . 72.2 t -74.93 -60.98 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -102.1 30.31 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.256 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t0 48.37 41.84 17.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.611 1.194 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 1.4 t70 -92.91 -56.53 2.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.464 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -162.99 -42.51 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' CG ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -171.5 -165.7 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.276 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.759 HG21 ' HB3' ' A' ' 46' ' ' ARG . 2.9 p -113.69 103.96 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.45 HD22 ' N ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -142.03 -172.23 3.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.169 . . . . 0.0 109.352 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.3 t -49.39 -23.84 1.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.4 m -65.45 -47.25 76.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 14' ' ' LYS . 96.4 m-20 -94.46 30.49 1.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.96 -2.03 42.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.6 t -76.54 -60.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.183 . . . . 0.0 109.251 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.729 ' HB3' HH22 ' A' ' 46' ' ' ARG . . . -63.84 -26.63 68.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.658 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -69.62 -56.73 6.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.548 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -45.46 -37.05 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -81.15 -29.75 34.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.786 ' CD1' HD11 ' A' ' 32' ' ' ILE . 23.6 t80 -65.45 -33.93 77.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -90.43 -40.26 12.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.476 HD13 ' HE2' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -69.76 -31.86 70.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.54 ' O ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -125.02 -67.27 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.346 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 1.3 t 88.09 52.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.433 ' N ' ' CD ' ' A' ' 29' ' ' ARG . . . -151.79 48.82 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.786 HD11 ' CD1' ' A' ' 26' ' ' TYR . 1.6 pp -123.22 164.11 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.31 118.39 31.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.607 HG21 HG13 ' A' ' 9' ' ' VAL . 24.8 pt -149.59 171.81 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.584 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -81.04 45.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.535 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 1.8 t -39.49 -28.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.422 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' ASN . 6.4 m-20 -39.49 -74.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -110.26 38.11 2.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.535 ' HB2' ' HA ' ' A' ' 36' ' ' THR . . . -64.99 -67.98 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 43' ' ' GLU . 1.0 OUTLIER -115.04 165.14 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.602 HD21 ' CE1' ' A' ' 6' ' ' TYR . 2.3 mm? -114.7 -26.72 7.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.501 ' CB ' ' OD1' ' A' ' 44' ' ' ASP . 29.9 m120 -64.61 -11.61 36.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 4.4 mt-10 70.4 39.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.501 ' OD1' ' CB ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -116.46 -33.15 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.409 ' C ' ' HG3' ' A' ' 46' ' ' ARG . . . 156.78 -77.15 0.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.759 ' HB3' HG21 ' A' ' 15' ' ' VAL . 12.4 mtp180 -140.25 -73.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.647 ' O ' HG23 ' A' ' 47' ' ' VAL . 16.0 m -144.63 100.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.92 -40.95 75.25 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.587 1.179 . . . . 0.0 109.225 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.655 ' HA ' HD21 ' A' ' 52' ' ' LEU . 0.4 OUTLIER 174.92 -34.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' ASP . 16.9 m -89.85 -51.63 5.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.44 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.534 ' O ' HD23 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -39.7 -56.09 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.837 HD12 ' N ' ' A' ' 53' ' ' GLY . 3.1 pp -38.56 -54.48 1.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.837 ' N ' HD12 ' A' ' 52' ' ' LEU . . . -46.6 -74.61 0.22 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.1 -39.35 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.912 ' O ' HG23 ' A' ' 59' ' ' ILE . 3.0 mm? -57.69 -63.39 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.476 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -64.79 -3.5 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -91.18 -49.2 6.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 110.266 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.962 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -91.01 -30.71 16.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 110.957 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.962 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 0.8 OUTLIER -71.84 -24.22 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.351 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.914 HD13 ' O ' ' A' ' 60' ' ' LEU . 1.8 tm? -92.0 4.09 53.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -116.84 -111.47 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -82.68 -4.97 58.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.4 tp 32.12 90.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.356 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER 158.88 -35.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.7 m -72.39 -72.68 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 110.403 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.945 HD12 ' CE2' ' A' ' 58' ' ' TYR . 7.1 tt 68.21 89.26 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 57.31 4.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.525 ' N ' HD23 ' A' ' 66' ' ' LEU . 21.3 p90 -38.47 123.94 1.24 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.91 155.56 45.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.247 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 61.05 166.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.367 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ' CA' . . . . . 0.45 'CA ' ' HB3' ' A' ' 12' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 mtt . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.528 0.204 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.19 102.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.3 t -149.45 167.03 27.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.359 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.28 67.09 1.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.6 HD23 ' OD2' ' A' ' 8' ' ' ASP . 0.4 OUTLIER -80.86 132.49 35.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.227 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.593 ' CE1' HD21 ' A' ' 41' ' ' LEU . 3.1 t80 -150.36 123.48 8.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 92.21 15.56 53.29 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.6 ' OD2' HD23 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -64.16 91.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.612 0.831 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.869 HG21 ' NH1' ' A' ' 46' ' ' ARG . 42.9 t -61.1 -60.75 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -105.83 29.23 6.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.216 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.452 ' HA ' ' CG ' ' A' ' 8' ' ' ASP . 1.1 m-20 48.6 61.21 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -118.72 -54.54 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.352 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -151.93 -57.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.402 1.064 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HE2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -172.17 -171.73 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.545 ' CG2' ' NE ' ' A' ' 46' ' ' ARG . 8.4 p -87.52 113.63 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.429 ' ND2' ' HE2' ' A' ' 14' ' ' LYS . 15.8 p-10 -160.61 170.7 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.353 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 3.3 t -46.48 -33.59 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 m -50.67 -33.46 22.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.402 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.463 ' CG ' ' HB ' ' A' ' 9' ' ' VAL . 87.6 m-20 -96.92 24.39 6.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.389 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 17' ' ' SER . . . -59.94 -37.94 80.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.4 t -46.99 -43.3 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.598 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -81.13 -58.77 2.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.779 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -42.67 -47.37 5.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.47 -58.89 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -62.16 -37.47 85.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.664 ' HB2' HD11 ' A' ' 32' ' ' ILE . 59.9 t80 -63.83 -34.52 78.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.062 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 23' ' ' LEU . 38.9 t -83.27 -48.37 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -35.91 71.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -164.21 -174.12 3.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.69 74.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.953 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.427 ' N ' ' HD3' ' A' ' 29' ' ' ARG . . . -122.99 -50.85 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.664 HD11 ' HB2' ' A' ' 26' ' ' TYR . 2.8 pp -59.87 160.68 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.2 p -117.07 125.71 51.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.408 1.068 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.544 HG21 HG13 ' A' ' 9' ' ' VAL . 22.4 pt -139.75 -179.77 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.488 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 2.3 p30 -85.79 40.62 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.537 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -38.47 -29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.8 m-20 -44.15 -59.09 2.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.508 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.7 p-10 -119.47 49.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.246 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.537 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -105.58 -49.96 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 43' ' ' GLU . 1.6 t70 -79.5 141.24 36.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.593 HD21 ' CE1' ' A' ' 6' ' ' TYR . 1.5 mp -139.6 13.6 2.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.412 ' CG ' ' OD1' ' A' ' 51' ' ' ASP . 12.2 m120 -141.32 14.9 2.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 2.3 mt-10 58.57 34.0 23.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 6.3 m-20 -114.26 -32.14 6.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 132.54 -44.48 1.2 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.869 ' NH1' HG21 ' A' ' 9' ' ' VAL . 9.2 mtp180 -167.17 -92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 0.798 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.592 ' CG2' HD22 ' A' ' 23' ' ' LEU . 34.1 m -142.84 102.25 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.16 -34.06 29.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.74 -32.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.962 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.5 m -88.09 -63.72 1.26 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' THR . 1.4 m-20 -36.99 -40.03 0.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -39.59 -61.27 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -37.17 -80.42 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -39.16 -50.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.86 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -51.66 -60.54 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.706 ' O ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -69.33 -2.43 10.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.368 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -93.1 -53.72 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 1.13 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -73.3 -40.92 64.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 111.028 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.909 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 3.1 pt -63.68 -26.3 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.706 HD13 ' O ' ' A' ' 56' ' ' LYS . 4.0 tp -40.52 -56.13 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.408 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 0.8 OUTLIER -175.86 35.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 58' ' ' TYR . 2.4 mm-40 -125.36 -3.45 7.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.557 HD12 ' HE1' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -40.75 114.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 168.51 -34.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -137.23 -44.11 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 110.439 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.13 HD12 ' CE2' ' A' ' 58' ' ' TYR . 5.3 tt 69.0 92.28 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 65.97 6.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.507 ' N ' HD23 ' A' ' 66' ' ' LEU . 8.7 p90 -45.23 144.3 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 111.044 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -138.86 126.46 21.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -109.44 164.02 12.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttm . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.488 0.185 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.42 163.73 6.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 t -167.0 161.34 14.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.454 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -122.71 129.99 52.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.524 HD12 ' HB2' ' A' ' 8' ' ' ASP . 1.4 pt? -172.52 150.53 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.522 ' OH ' HD12 ' A' ' 41' ' ' LEU . 21.4 t80 -150.26 96.5 2.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.62 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 101.65 55.64 0.88 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.524 ' HB2' HD12 ' A' ' 5' ' ' LEU . 3.3 t0 -90.19 149.83 22.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.968 ' CG2' HG23 ' A' ' 15' ' ' VAL . 46.9 t -94.32 -56.29 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.456 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 1.7 p30 -109.5 26.75 10.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t0 50.05 42.71 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 109.248 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -99.91 -52.08 3.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.77 -49.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.382 1.051 . . . . 0.0 111.057 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -173.47 179.67 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.743 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.968 HG23 ' CG2' ' A' ' 9' ' ' VAL . 9.1 p -96.36 94.02 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.22 -170.27 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 15.1 t -51.35 -38.09 51.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.955 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.1 m -49.79 -43.81 48.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.398 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.456 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 97.5 m-20 -96.51 24.71 5.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -59.64 -40.48 87.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.1 t -41.81 -60.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.595 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -61.06 -45.31 95.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.956 HD11 ' HB2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -50.66 -60.53 2.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -40.42 -44.24 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -47.9 68.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.686 ' CE1' ' CZ ' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -59.43 -45.28 91.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.142 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 23' ' ' LEU . 15.8 t -61.36 -56.89 14.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.87 -41.68 58.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -162.07 161.02 28.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 110.276 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.3 m -99.59 69.7 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.7 -37.22 0.68 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 13.0 tt -59.61 160.92 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.71 121.53 45.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 110.015 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.741 HD11 ' HD3' ' A' ' 46' ' ' ARG . 3.2 pt -146.48 165.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -86.37 59.9 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.838 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 5.3 t -61.17 -10.51 6.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.381 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.7 OUTLIER -34.18 -69.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.52 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -119.33 36.33 4.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.838 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -96.64 -18.04 19.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -115.68 104.02 11.27 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.699 HD22 ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -112.67 52.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 9.4 m120 -163.4 -30.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 1.8 tt0 86.91 35.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.444 ' OD1' ' CB ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -115.04 -30.97 6.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.247 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.53 ' CA ' ' NH2' ' A' ' 46' ' ' ARG . . . 154.96 -77.77 0.2 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.956 ' HB2' HD11 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -153.99 -66.44 0.14 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 0.784 . . . . 0.0 110.352 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.786 HG22 ' HG ' ' A' ' 23' ' ' LEU . 18.3 m -146.67 71.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.118 . . . . 0.0 109.203 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 49' ' ' SER . 7.9 p30 -59.55 -40.62 87.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 166.41 -31.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 m -81.21 -33.64 32.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' LEU . 1.2 t0 -73.91 -43.73 57.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -38.77 -60.61 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -53.16 -72.61 0.51 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.146 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.434 HG22 ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -40.0 -42.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.527 0.781 . . . . 0.0 109.281 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 59' ' ' ILE . 1.2 mm? -62.45 -61.54 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.463 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -62.91 -5.0 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -90.62 -49.61 6.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.9 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -90.35 -31.05 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.9 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -72.32 -20.17 19.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.946 HD13 ' O ' ' A' ' 60' ' ' LEU . 2.3 tm? -93.96 1.63 56.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -118.5 -111.75 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.422 1.076 . . . . 0.0 109.211 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 mt-10 -77.83 -9.41 59.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.861 HD13 ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER 30.91 90.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.369 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.612 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER 146.36 -20.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 66' ' ' LEU . 7.2 m -84.48 -45.14 12.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.128 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.864 HD12 ' CE2' ' A' ' 58' ' ' TYR . 5.4 tt 40.43 91.14 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.602 ' O ' ' CD1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.06 -2.24 12.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.803 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.707 ' H ' HD23 ' A' ' 66' ' ' LEU . 6.5 p90 34.67 42.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' O ' ' CG1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -111.05 173.86 6.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.586 1.179 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 65.39 124.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mtt . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.406 0.146 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.31 90.79 1.13 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.562 1.164 . . . . 0.0 110.029 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.7 t -158.55 156.51 30.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.88 155.99 16.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.072 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.793 HD22 ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -149.27 147.71 28.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.707 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.9 t80 -150.45 112.67 4.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.632 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 68.82 61.07 4.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.145 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.574 ' HB2' HD23 ' A' ' 5' ' ' LEU . 1.1 t0 -88.22 149.55 23.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.863 HG11 ' HB3' ' A' ' 22' ' ' ALA . 49.3 t -98.71 -59.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -101.7 21.48 14.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 50.03 50.41 18.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.36 -53.09 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.04 -52.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.568 1.168 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.04 169.21 1.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 0.749 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.835 HG23 ' CG2' ' A' ' 9' ' ' VAL . 12.4 p -83.23 94.99 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.747 HD22 HD13 ' A' ' 59' ' ' ILE . 1.5 p30 -134.65 -179.63 5.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -45.5 -27.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.944 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -64.95 -40.74 95.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 16' ' ' ASN . 98.7 m-20 -92.52 21.55 5.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . -59.65 -41.01 89.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' ALA . 41.7 t -39.86 -47.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.863 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -80.13 -33.44 38.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.911 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.4 tp -59.44 -60.11 4.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -51.95 -32.79 34.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.47 ' HG2' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -78.68 -31.32 46.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.649 ' CD1' ' NE ' ' A' ' 46' ' ' ARG . 17.8 t80 -80.83 -28.79 36.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 23' ' ' LEU . 14.2 t -77.94 -43.98 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.97 0.02 57.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 30' ' ' SER . 1.9 tpt180 74.59 154.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.47 ' CB ' ' HG2' ' A' ' 25' ' ' ARG . 0.6 OUTLIER 163.97 158.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.052 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.81 59.06 0.51 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 1.6 tt -115.23 153.27 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.55 126.4 44.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.527 ' CG2' HG13 ' A' ' 9' ' ' VAL . 1.8 pt -140.36 176.7 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.371 1.044 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.65 67.01 2.34 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.65 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 5.1 t -68.15 -6.52 23.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.78 -75.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.504 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 2.8 p-10 -102.36 40.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.65 ' HB2' ' HA ' ' A' ' 36' ' ' THR . . . -76.71 -90.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 1.055 ' O ' HD13 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -79.22 163.01 25.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 1.055 HD13 ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -134.22 47.63 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.578 ' ND2' ' OD1' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -165.11 31.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.37 1.044 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 46.95 46.39 15.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.282 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -114.24 -36.45 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 130.14 -63.3 0.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.667 HH12 HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -145.62 -94.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.603 0.825 . . . . 0.0 110.26 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.686 HG12 HD13 ' A' ' 55' ' ' LEU . 26.7 m -134.57 96.51 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.408 1.067 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.14 -35.44 28.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.434 ' HA ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER 168.41 -31.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.2 m -78.07 -37.99 45.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.615 ' HB3' HG12 ' A' ' 47' ' ' VAL . 2.2 m-20 -80.13 -50.34 10.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 49' ' ' SER . 0.1 OUTLIER -38.65 -45.34 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.75 -58.29 14.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -44.22 93.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.797 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.811 HD22 ' O ' ' A' ' 15' ' ' VAL . 0.5 OUTLIER -60.99 -59.23 5.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.559 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -59.65 -1.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.584 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -91.77 -53.47 4.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 1.011 ' CE1' HG22 ' A' ' 59' ' ' ILE . 1.0 OUTLIER -91.67 -34.03 14.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 1.011 HG22 ' CE1' ' A' ' 58' ' ' TYR . 1.4 pp -58.58 -15.7 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -47.96 -56.27 8.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.496 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER 177.28 -25.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -63.73 -39.73 95.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.508 ' O ' ' O ' ' A' ' 62' ' ' GLU . 1.4 tp 40.2 96.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t0 170.83 -31.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.2 m -76.79 53.06 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 110.44 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.891 HD12 ' CE2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -148.59 62.67 6.53 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.442 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 18.3 Cg_endo -75.03 -25.17 12.07 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.55 1.816 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -39.13 126.57 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.97 -68.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -120.17 116.05 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.0 mtt . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.448 0.166 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.78 146.77 41.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.847 HG23 ' CD1' ' A' ' 5' ' ' LEU . 8.8 t -112.17 -167.08 1.14 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.524 ' C ' HD13 ' A' ' 5' ' ' LEU . 1.6 mttt -135.38 120.29 18.58 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.847 ' CD1' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -137.89 167.18 22.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -150.31 100.31 2.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.97 47.51 2.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 35' ' ' ASN . 2.8 t0 -81.73 125.77 31.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 0.774 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.772 HG11 ' HB3' ' A' ' 22' ' ' ALA . 47.8 t -77.64 -60.23 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.449 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 4.4 p30 -104.38 30.08 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.6 t70 48.16 42.48 17.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' HB3' 'CA ' ' A' ' 72' ' ' ' CA' . 6.3 t70 -98.2 -54.52 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -160.26 -45.18 0.02 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.45 1.094 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.39 -170.9 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.66 ' HB ' HG23 ' A' ' 9' ' ' VAL . 5.9 p -108.15 104.02 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.439 ' OD1' ' CB ' ' A' ' 18' ' ' THR . 5.7 p30 -154.02 -171.31 3.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.613 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . 15.0 t -48.82 -23.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.955 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.439 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 45.5 m -67.55 -36.77 81.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.449 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.5 m-20 -111.16 22.16 15.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.613 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . -59.88 -22.67 62.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.39 -59.71 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.772 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -67.68 -23.27 65.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.927 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -66.73 -54.32 24.09 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -50.83 -42.91 58.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -69.46 -26.23 64.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.527 ' CD1' ' HD3' ' A' ' 46' ' ' ARG . 25.1 t80 -83.88 -35.98 23.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.927 HG23 ' O ' ' A' ' 23' ' ' LEU . 9.2 t -67.31 -43.79 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.361 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.22 -57.47 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.508 ' O ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -147.3 -82.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.319 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 2.2 p 158.02 51.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.975 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.53 -20.43 10.95 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.505 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 16.7 tt -71.23 168.68 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.94 122.81 45.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.57 ' CG2' HG13 ' A' ' 9' ' ' VAL . 11.4 pt -146.61 -179.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.706 ' ND2' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -80.88 43.34 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.508 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -38.72 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.412 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -40.77 -73.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 1.8 p-10 -109.86 44.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.706 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -93.87 -61.31 1.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.526 ' O ' HD23 ' A' ' 41' ' ' LEU . 8.1 t0 -64.19 155.6 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.258 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 40' ' ' ASP . 36.7 mt -154.44 24.34 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 109.378 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.42 ' OD1' ' OD2' ' A' ' 44' ' ' ASP . 23.7 p-10 -173.86 37.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 47.84 43.2 17.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' NH2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -118.1 -35.83 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.469 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 129.3 -64.67 0.6 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.771 ' HB2' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -148.5 -55.91 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.76 . . . . 0.0 110.27 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.703 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.6 t -156.92 107.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -90.8 -49.18 6.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.8 p 179.24 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.5 m -84.12 -39.0 20.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 110.435 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.496 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -67.61 -28.5 67.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -52.19 -45.69 65.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -63.13 -62.15 5.71 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.539 HG23 ' HB2' ' A' ' 66' ' ' LEU . 2.5 mm -42.52 -46.28 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.913 ' O ' HG23 ' A' ' 59' ' ' ILE . 3.1 mm? -60.92 -61.49 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 3.8 tttt -63.34 -0.92 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 55' ' ' LEU . 2.7 mtt180 -90.42 -53.21 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.957 ' CE2' HD12 ' A' ' 66' ' ' LEU . 1.9 p90 -90.52 -27.81 18.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.923 HG22 ' CE1' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -74.97 -0.75 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 61' ' ' LYS . 13.3 tp -70.47 -52.96 18.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -177.59 -33.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -72.14 3.98 4.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.4 OUTLIER -34.42 131.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' A' ' 65' ' ' THR . 7.4 m-20 162.18 45.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.525 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 2.0 m 85.23 86.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.491 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.957 HD12 ' CE2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -50.35 154.79 1.97 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 54.49 3.67 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.459 1.768 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -48.61 95.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.049 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -161.5 178.5 9.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 m120 50.67 96.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ' CA' . . . . . 0.406 'CA ' ' HB3' ' A' ' 12' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.5 mtt . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.493 0.187 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.97 167.03 23.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 t -167.78 152.24 6.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 110.429 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.791 ' C ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -153.95 137.03 15.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.791 HD23 ' C ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -169.38 -179.48 3.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.517 ' HE1' HD11 ' A' ' 41' ' ' LEU . 2.6 t80 -150.61 110.94 4.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.707 ' H ' ' ND2' ' A' ' 38' ' ' ASN . . . 39.04 56.72 2.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.486 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 4.7 t0 -58.37 152.97 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.748 HG11 ' HB3' ' A' ' 22' ' ' ALA . 88.2 t -91.19 -60.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.466 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 6.4 p30 -106.76 20.31 19.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 t70 50.8 54.46 11.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.07 -33.93 5.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.439 ' N ' ' OD2' ' A' ' 8' ' ' ASP . . . -172.37 -60.57 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' O ' ' OD2' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -156.5 -171.15 3.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.773 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.6 p -112.01 96.27 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -148.34 -172.28 4.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 11.3 t -45.37 -36.69 4.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 m -50.64 -40.39 53.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.466 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 83.2 m-20 -99.85 28.78 4.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.372 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 17' ' ' SER . . . -59.74 -37.91 80.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 20' ' ' ALA . 65.2 t -40.03 -60.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.748 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -66.15 -36.11 82.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.734 HD11 ' CG2' ' A' ' 47' ' ' VAL . 0.5 OUTLIER -55.62 -60.36 3.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.66 -41.88 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.2 -41.88 69.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 110.254 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.709 ' OH ' HG21 ' A' ' 36' ' ' THR . 26.5 t80 -65.42 -45.96 81.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 23' ' ' LEU . 22.0 t -61.39 -57.34 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.421 ' O ' HD23 ' A' ' 28' ' ' LEU . 3.0 tt -48.42 -39.89 24.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HD3' ' N ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -176.34 -179.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.407 ' N ' ' HD3' ' A' ' 29' ' ' ARG . 89.5 p -107.9 115.29 29.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.051 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -160.07 -50.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.934 HD12 HG23 ' A' ' 34' ' ' ILE . 1.3 pp -59.9 148.56 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.295 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.1 p -89.77 121.14 31.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.934 HG23 HD12 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -149.92 166.3 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -95.08 68.52 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.753 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 5.7 t -81.2 17.14 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 110.428 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -73.0 -45.97 54.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.707 ' ND2' ' H ' ' A' ' 7' ' ' GLY . 1.7 p-10 -120.45 16.46 12.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.753 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -83.88 -18.54 37.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.998 ' O ' HD13 ' A' ' 41' ' ' LEU . 1.5 t70 -113.28 141.38 47.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.259 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -140.97 20.68 2.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -151.17 21.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 55.58 44.87 25.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.29 -32.36 6.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.48 -49.53 0.84 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.652 ' NH1' HD13 ' A' ' 34' ' ' ILE . 31.4 mmm-85 -145.43 -92.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 0.762 . . . . 0.0 110.323 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.734 ' CG2' HD11 ' A' ' 23' ' ' LEU . 5.7 m -152.73 95.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -71.48 -47.03 58.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.426 ' HA ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER 177.39 -36.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.4 m -78.4 -34.69 47.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -89.76 -21.57 22.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.763 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.43 -58.65 7.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.17 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -52.39 -62.28 5.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 111.045 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.58 HG22 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -46.57 -40.05 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.575 0.809 . . . . 0.0 109.264 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.848 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -65.99 -57.21 8.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -69.2 0.54 4.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -92.75 -53.91 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 1.198 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -80.72 -36.68 31.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 111.056 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.96 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.3 pp -64.72 -11.21 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.91 -42.25 97.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.597 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -161.58 -36.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.617 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -63.2 -1.21 0.95 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.743 HD13 ' HB2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -21.37 129.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.243 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.743 ' HB2' HD13 ' A' ' 63' ' ' ILE . 13.6 t0 92.3 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 62' ' ' GLU . 99.1 m -56.54 -67.17 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.198 HD12 ' CE2' ' A' ' 58' ' ' TYR . 4.8 tt 54.36 89.11 0.11 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 59.28 5.19 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.451 1.764 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -38.93 133.38 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -112.44 161.7 16.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -87.19 132.74 33.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.457 1.098 . . . . 0.0 110.907 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.88 HD12 ' HB2' ' A' ' 8' ' ' ASP . 2.5 pt? -167.49 166.97 14.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.841 ' CE1' HD22 ' A' ' 41' ' ' LEU . 54.4 t80 -148.5 101.86 3.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 55.97 45.88 85.64 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.88 ' HB2' HD12 ' A' ' 5' ' ' LEU . 2.1 t0 -59.09 151.49 22.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.401 0.706 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.421 HG23 ' HA ' ' A' ' 15' ' ' VAL . 14.1 t -96.86 -56.99 4.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -110.09 23.7 13.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.06 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 51.12 46.7 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.84 -46.3 4.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -163.46 -51.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.436 ' CG ' ' OD1' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -172.8 -179.76 2.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.727 ' O ' HD22 ' A' ' 55' ' ' LEU . 2.7 p -99.77 106.26 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.436 ' OD1' ' CG ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -151.54 -169.52 3.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t -49.82 -22.44 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.3 m -67.74 -47.66 68.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -92.36 26.13 2.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.453 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -64.39 -37.88 89.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -40.2 -53.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.242 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 32' ' ' ILE . . . -73.6 -31.89 63.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.95 HD11 HG22 ' A' ' 47' ' ' VAL . 2.8 tt -53.78 -60.18 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.723 ' O ' HD13 ' A' ' 28' ' ' LEU . 64.1 tttt -51.71 -43.25 62.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -26.52 66.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.576 ' CE1' ' HD2' ' A' ' 46' ' ' ARG . 37.1 t80 -82.8 -62.39 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.7 t -44.93 -35.07 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.723 HD13 ' O ' ' A' ' 24' ' ' LYS . 3.6 mp -69.17 -52.81 24.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.43 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -157.47 165.67 35.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.353 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -97.91 64.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.046 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.86 -49.27 1.1 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.544 HD13 ' HB1' ' A' ' 22' ' ' ALA . 1.7 pt -59.93 166.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 0.73 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.43 119.87 37.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.495 ' CG2' HD12 ' A' ' 32' ' ' ILE . 5.6 pt -139.33 163.63 25.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.444 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 2.1 m-80 -69.99 61.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.458 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -55.78 -17.47 6.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.371 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' THR . 2.8 m-20 -39.37 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.515 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 1.9 p-10 -112.39 38.94 2.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.458 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -78.08 -55.47 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.429 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 5.4 t70 -86.81 145.33 26.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.841 HD22 ' CE1' ' A' ' 6' ' ' TYR . 4.9 mp -145.96 22.28 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.406 ' CG ' ' OD1' ' A' ' 51' ' ' ASP . 1.2 m120 -154.79 24.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 52.32 36.9 20.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.42 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 27.7 m-20 -114.32 -33.01 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.429 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 121.11 -52.27 0.75 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.158 . . . . 0.0 111.047 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.576 ' HD2' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -149.94 -93.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 110.271 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.95 HG22 HD11 ' A' ' 23' ' ' LEU . 16.6 m -141.65 79.57 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 49' ' ' SER . 9.9 p30 -61.11 -38.75 87.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER 165.42 -30.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.05 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.4 m -78.47 -40.4 35.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.803 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -79.95 -43.11 22.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.438 ' CA ' ' HB ' ' A' ' 47' ' ' VAL . 1.5 tt -39.16 -61.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -38.22 -74.22 0.12 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -43.57 -49.58 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 0.722 . . . . 0.0 109.246 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.875 HD13 HG12 ' A' ' 47' ' ' VAL . 0.6 OUTLIER -53.65 -61.5 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.474 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 11.4 ptmt -61.9 -8.24 4.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -91.47 -45.54 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 1.069 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -90.17 -39.03 13.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.936 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.3 pp -59.49 -16.42 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.615 HD23 ' HE3' ' A' ' 61' ' ' LYS . 10.0 tp -54.54 -34.6 62.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.615 ' HE3' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -177.14 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.8 mt-10 -51.87 -18.37 1.29 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.583 1.177 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.503 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -32.83 100.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.4 t0 167.32 -31.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.6 t -134.15 -43.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.069 HD12 ' CE2' ' A' ' 58' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -162.84 136.63 6.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.371 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 38' ' ' ASN . 16.4 t80 -149.63 107.5 3.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.647 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 84.36 59.46 2.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.552 1.157 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 13' ' ' GLY . 0.8 OUTLIER -98.19 152.57 19.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.44 0.73 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.55 HG23 ' CZ ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -96.11 -47.04 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.464 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 0.8 OUTLIER -111.89 16.6 20.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.5 t70 49.11 60.45 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.182 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.478 ' CG ' ' N ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -120.1 -49.46 2.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.506 ' N ' ' OD2' ' A' ' 8' ' ' ASP . . . -150.55 -55.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.612 ' CE ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER 179.55 159.01 0.69 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.421 0.718 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 7' ' ' GLY . 14.1 p -75.79 111.91 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -145.06 -170.8 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.385 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 t -49.91 -22.28 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.4 m -77.13 -37.03 54.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.453 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.41 ' OD2' ' HB ' ' A' ' 9' ' ' VAL . 6.1 m-20 -83.99 7.55 18.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.377 1.048 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.07 -20.78 62.99 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.0 t -68.28 -58.89 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 109.36 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.513 ' O ' HG21 ' A' ' 32' ' ' ILE . . . -63.44 -33.67 76.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.993 HD13 HG22 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -68.38 -56.97 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.249 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.16 -26.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.598 ' HB3' HD12 ' A' ' 32' ' ' ILE . 1.6 mpt_? -88.31 -38.44 15.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.787 ' HB2' HG22 ' A' ' 32' ' ' ILE . 33.1 t80 -70.62 -22.38 62.54 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 23' ' ' LEU . 24.6 t -90.38 -42.44 14.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.64 -48.86 15.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.602 1.189 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ARG . 3.4 tmt_? -83.48 160.07 21.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.53 -74.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.04 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.83 86.45 0.12 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.787 HG22 ' HB2' ' A' ' 26' ' ' TYR . 1.7 tt -59.51 153.35 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.2 m -60.78 116.11 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.03 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.819 HD12 ' NH1' ' A' ' 46' ' ' ARG . 6.0 pt -153.25 -179.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.408 1.068 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.44 56.14 0.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.753 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 5.7 t -59.66 -14.42 13.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' THR . 3.5 m-20 -39.24 -63.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -120.78 45.96 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.753 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -107.34 -56.55 2.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -72.55 121.09 19.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.432 ' CD2' ' OH ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -126.54 6.99 6.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.405 ' OD1' ' OD1' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -138.66 14.82 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 53.86 36.15 23.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.41 ' OD2' ' OD1' ' A' ' 51' ' ' ASP . 2.2 p30 -112.88 -35.33 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.412 ' C ' ' CG ' ' A' ' 46' ' ' ARG . . . 147.78 -72.56 0.31 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.819 ' NH1' HD12 ' A' ' 34' ' ' ILE . 2.2 mtp85 -154.39 -70.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.993 HG22 HD13 ' A' ' 23' ' ' LEU . 16.5 m -139.25 71.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.9 OUTLIER -59.15 -40.63 86.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 1.4 m 164.3 -31.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 m -85.89 -26.03 25.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.442 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -86.08 -40.24 15.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -38.53 -46.2 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -59.28 -80.21 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.479 HG22 ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -40.16 -39.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 109.379 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.796 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -60.75 -60.38 3.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.505 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -68.89 -5.48 21.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -91.86 -55.92 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 1.157 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -71.06 -31.9 68.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.864 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.5 pp -76.3 -1.87 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 tp -69.55 -33.2 72.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -175.81 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 63' ' ' ILE . 4.2 mt-10 -53.95 -17.14 2.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.756 HD12 ' HE1' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -34.55 109.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER 153.79 -23.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.19 -48.91 0.55 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.157 HD12 ' CE2' ' A' ' 58' ' ' TYR . 7.1 tt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.647 HD12 ' OD2' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -170.45 153.26 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.739 ' OH ' HD22 ' A' ' 41' ' ' LEU . 50.1 t80 -150.12 101.98 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.726 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 95.92 52.42 1.65 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.093 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.647 ' OD2' HD12 ' A' ' 5' ' ' LEU . 1.9 t0 -98.43 150.22 21.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.933 ' CG2' HG23 ' A' ' 15' ' ' VAL . 66.2 t -100.17 -59.74 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.064 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -104.04 22.04 15.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.087 . . . . 0.0 109.391 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.625 ' OD1' HD11 ' A' ' 5' ' ' LEU . 9.6 t0 49.9 45.94 24.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.6 -45.55 5.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.8 -52.92 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.459 ' CD ' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -173.76 170.45 3.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.249 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.933 HG23 ' CG2' ' A' ' 9' ' ' VAL . 13.7 p -91.26 110.82 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.459 ' ND2' ' CD ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -152.96 -172.47 4.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -45.52 -25.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.41 ' N ' ' C ' ' A' ' 16' ' ' ASN . 75.8 m -69.06 -43.61 74.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.451 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.438 ' HB3' HG21 ' A' ' 9' ' ' VAL . 87.4 m-20 -92.23 22.19 4.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.72 84.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.9 t -46.82 -60.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.747 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -65.89 -56.44 11.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.971 HD12 ' NH1' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -40.74 -57.91 1.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -44.47 20.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.505 ' O ' ' CD ' ' A' ' 29' ' ' ARG . 5.3 mtt180 -69.3 -28.1 65.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.708 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 5.0 t80 -80.79 -38.55 28.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.521 HG23 HH22 ' A' ' 46' ' ' ARG . 0.3 OUTLIER -78.11 -36.6 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 28' ' ' LEU . 5.3 tt -75.82 -40.92 54.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -150.7 -170.44 3.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.155 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.3 p -132.09 58.42 1.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -100.91 -56.38 0.9 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.658 ' CD1' HG23 ' A' ' 34' ' ' ILE . 2.5 pp -59.74 178.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.785 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -136.83 120.99 17.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.669 HG21 HG13 ' A' ' 9' ' ' VAL . 5.4 pt -129.99 168.99 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.444 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 2.2 m-80 -69.87 61.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.376 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -58.01 -24.87 60.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.7 OUTLIER -37.35 -68.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.46 ' CG ' ' O ' ' A' ' 38' ' ' ASN . 9.7 t30 -116.54 66.52 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.438 ' HB1' ' HG3' ' A' ' 46' ' ' ARG . . . -116.49 -67.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.962 ' O ' HD23 ' A' ' 41' ' ' LEU . 47.4 t0 -59.64 149.94 28.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.962 HD23 ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -148.45 -45.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.426 ' CG ' ' OD1' ' A' ' 51' ' ' ASP . 2.8 m120 -85.11 3.98 36.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 75.01 36.21 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 110.362 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' A' ' 51' ' ' ASP . 5.2 p-10 -115.49 -33.8 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.59 -66.35 0.5 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.971 ' NH1' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -145.0 -89.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 0.759 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.734 ' CG2' HD13 ' A' ' 23' ' ' LEU . 3.6 m -135.0 72.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -59.5 -40.83 88.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.66 ' HA ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER 166.31 -30.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.9 m -82.87 -36.86 25.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.424 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.426 ' OD1' ' CG ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -74.72 -42.45 58.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -49.31 -44.46 44.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.82 -26.35 17.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.471 HG22 HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -90.19 -37.49 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.794 HD13 ' CE2' ' A' ' 58' ' ' TYR . 1.6 mm? -61.34 -61.26 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.495 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -60.95 -6.31 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 0.0 109.345 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' H ' ' C ' ' A' ' 55' ' ' LEU . 3.9 ttt180 -89.49 -49.54 6.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.241 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.832 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -91.39 -42.71 10.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.832 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.4 pp -50.25 -22.25 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -45.79 -60.33 2.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -179.36 38.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -131.7 5.85 4.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.561 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -41.01 156.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 1.6 t0 151.51 -63.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.464 ' O ' ' O ' ' A' ' 66' ' ' LEU . 1.1 t -134.73 5.76 3.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.443 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.92 ' O ' HD23 ' A' ' 66' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.401 1.063 . . . . 0.0 109.254 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.8 mttm . . . . . 0 N--CA 1.452 -0.374 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.545 HD23 ' N ' ' A' ' 5' ' ' LEU . 1.2 pt? -174.09 147.84 1.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.607 ' CE1' ' OD1' ' A' ' 38' ' ' ASN . 45.7 t80 -150.35 116.89 5.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.716 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 75.66 59.27 3.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -90.28 149.98 22.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.921 ' CG2' HG23 ' A' ' 15' ' ' VAL . 74.7 t -99.92 -59.61 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.444 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 4.5 p30 -105.43 27.41 8.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 50.04 45.84 25.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -100.58 -54.64 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -159.67 -42.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.28 -172.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.921 HG23 ' CG2' ' A' ' 9' ' ' VAL . 11.1 p -111.39 103.36 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.691 ' CG ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -145.35 -160.51 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.218 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.9 t -60.11 -15.13 20.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 m -75.34 -42.12 55.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.467 1.104 . . . . 0.0 110.408 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.444 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.2 m-20 -101.8 26.3 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.31 -23.86 65.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.2 t -55.52 -60.45 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.547 1.154 . . . . 0.0 109.221 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.584 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -68.28 -27.34 66.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.82 HD21 ' HB2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -60.69 -60.22 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -49.13 -40.07 31.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -29.81 70.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.24 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.771 ' OH ' HG21 ' A' ' 36' ' ' THR . 1.8 t80 -78.89 -50.18 11.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 111.07 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 23' ' ' LEU . 11.9 t -50.66 -48.94 26.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.361 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -39.71 81.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.395 1.059 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.434 ' C ' ' CD ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 173.63 172.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.1 m -86.79 108.05 18.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.82 -66.13 0.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.558 HD13 ' H ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -73.46 177.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.7 p -115.03 119.97 38.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.033 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.733 HG21 HG13 ' A' ' 9' ' ' VAL . 6.7 pt -138.08 174.22 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -93.9 49.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.415 1.072 . . . . 0.0 109.246 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.779 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -44.9 -25.18 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.37 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.86 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.607 ' OD1' ' CE1' ' A' ' 6' ' ' TYR . 6.6 t-20 -63.84 -25.08 68.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.779 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -64.41 -55.35 21.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.778 ' O ' HD23 ' A' ' 41' ' ' LEU . 11.3 t0 -64.75 135.72 56.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 40' ' ' ASP . 34.4 mt -143.59 14.74 1.78 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 0.3 OUTLIER -152.81 20.79 0.6 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 38.1 mt-10 61.82 49.01 5.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.428 ' CB ' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -124.34 -37.38 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 135.49 -60.56 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.418 1.074 . . . . 0.0 111.03 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.82 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -140.51 -73.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 0.781 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.438 HG13 ' C ' ' A' ' 46' ' ' ARG . 4.8 m -153.52 146.9 14.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.428 ' OD1' ' CB ' ' A' ' 44' ' ' ASP . 33.5 m120 -120.43 -61.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.723 ' HA ' HD21 ' A' ' 52' ' ' LEU . 14.5 p -159.23 -40.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.115 . . . . 0.0 110.08 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 m -85.31 -27.83 25.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.449 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.649 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -70.9 -60.4 2.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.337 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.723 HD21 ' HA ' ' A' ' 49' ' ' SER . 3.1 pp -41.93 -46.42 4.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.65 ' N ' HD12 ' A' ' 52' ' ' LEU . . . -55.0 -75.6 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -45.56 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.865 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -58.06 -55.81 30.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.55 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -64.0 -6.53 6.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.02 -45.35 8.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.953 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -88.72 -30.79 18.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.953 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -74.59 -1.78 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -67.58 -50.14 59.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.243 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.443 ' CD ' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER 178.89 -32.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.226 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -67.45 -1.53 4.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.09 . . . . 0.0 110.243 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.506 HD12 ' HE1' ' A' ' 58' ' ' TYR . 6.8 tt -35.02 135.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.665 ' O ' HG22 ' A' ' 65' ' ' THR . 6.2 m-20 176.65 64.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 64' ' ' ASP . 0.6 OUTLIER 83.52 7.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.437 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.924 HD12 ' CE2' ' A' ' 58' ' ' TYR . 3.8 tt . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.546 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -174.72 149.52 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -148.43 136.79 21.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 58.78 49.44 77.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.135 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.454 ' O ' ' CG ' ' A' ' 35' ' ' ASN . 1.8 t0 -85.15 123.4 30.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.805 HG13 ' CG2' ' A' ' 34' ' ' ILE . 3.3 t -76.56 -61.2 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -103.13 29.3 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 48.04 42.5 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -96.42 -52.21 4.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -163.69 -47.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.564 1.165 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.657 ' HE2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -175.91 176.98 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 0.778 . . . . 0.0 109.346 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.718 HG21 ' HG2' ' A' ' 46' ' ' ARG . 7.2 p -94.48 108.06 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.447 ' ND2' ' CD ' ' A' ' 14' ' ' LYS . 1.6 p30 -148.19 -172.27 4.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.8 t -50.12 -22.24 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.402 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 99.1 m -70.23 -44.58 68.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 14' ' ' LYS . 89.4 m-20 -96.6 24.63 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 21' ' ' VAL . . . -65.23 -41.48 94.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' ALA . 2.8 t -39.62 -61.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.543 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -63.03 -41.38 99.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.863 HD11 HG22 ' A' ' 47' ' ' VAL . 2.1 tt -50.39 -60.28 3.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.374 1.046 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -42.15 -47.37 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -41.33 97.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.378 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.441 ' CD2' ' HD3' ' A' ' 46' ' ' ARG . 19.7 t80 -58.28 -54.22 49.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.422 ' H ' HG23 ' A' ' 27' ' ' VAL . 3.6 t -60.41 -45.77 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.09 -47.27 78.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.9 -176.37 3.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.246 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.45 81.3 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.06 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.94 -65.29 0.35 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.529 ' C ' HD12 ' A' ' 32' ' ' ILE . 2.7 pp -59.37 172.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 0.793 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.76 141.31 51.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.805 ' CG2' HG13 ' A' ' 9' ' ' VAL . 1.5 pt -150.54 178.39 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -81.38 43.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.651 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -39.38 -29.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.441 ' N ' ' C ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -43.38 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -100.4 42.15 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.651 ' HB2' ' HA ' ' A' ' 36' ' ' THR . . . -74.66 -97.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.607 ' O ' HD13 ' A' ' 41' ' ' LEU . 4.0 t0 -77.83 -175.65 4.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 40' ' ' ASP . 2.5 mm? -128.68 -47.21 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 5.2 m120 -61.52 -16.94 52.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 6.7 tt0 80.58 49.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.4 -32.82 5.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.06 -66.99 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.718 ' HG2' HG21 ' A' ' 15' ' ' VAL . 6.9 mtp180 -152.92 -85.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 0.0 110.356 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.863 HG22 HD11 ' A' ' 23' ' ' LEU . 15.4 m -135.79 75.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 49' ' ' SER . 15.2 p30 -60.24 -31.29 70.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 158.75 -26.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.577 1.173 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.0 m -80.67 -35.62 33.5 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.677 ' HB3' HD23 ' A' ' 55' ' ' LEU . 4.3 m-20 -89.84 -24.61 21.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -40.33 -60.67 1.04 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -62.34 -49.32 75.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.469 HG23 HD11 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -51.4 -41.58 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.273 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.78 ' O ' HG23 ' A' ' 59' ' ' ILE . 3.2 mm? -65.28 -61.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.408 ' CG ' ' HA2' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -61.98 -7.83 4.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.3 OUTLIER -89.51 -58.31 2.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.717 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -74.85 -24.19 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.78 HG23 ' O ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -90.14 -8.29 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.461 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -56.76 -33.62 66.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.461 ' CD ' ' HB3' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -177.41 -35.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -60.98 -7.9 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.556 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -27.82 109.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 109.224 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.436 ' N ' HD12 ' A' ' 63' ' ' ILE . 0.1 OUTLIER 161.42 -27.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.6 t -162.12 133.99 5.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.588 ' HG ' ' CD2' ' A' ' 58' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.4 mptt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mp -118.77 148.14 43.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.668 ' CE2' HD22 ' A' ' 41' ' ' LEU . 62.0 t80 -116.96 96.54 5.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.502 ' HA3' ' C ' ' A' ' 38' ' ' ASN . . . 30.04 55.74 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.5 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -56.39 150.97 13.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 109.234 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.949 HG23 HG23 ' A' ' 15' ' ' VAL . 2.0 t -79.43 -59.51 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.403 ' OD1' ' OD2' ' A' ' 19' ' ' ASP . 6.0 p30 -105.52 17.64 23.53 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.484 ' HA ' ' CB ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER 48.64 54.37 10.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.51 ' CG ' ' N ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -120.69 -50.49 2.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.51 ' N ' ' CG ' ' A' ' 12' ' ' ASP . . . -138.26 -62.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.43 164.26 3.11 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.949 HG23 HG23 ' A' ' 9' ' ' VAL . 7.1 p -80.77 90.96 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.644 ' ND2' HD13 ' A' ' 59' ' ' ILE . 16.0 p-10 -147.0 -174.25 4.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 t -46.62 -39.38 11.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -54.01 -25.37 20.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' OD2' ' OD1' ' A' ' 10' ' ' ASN . 1.4 m-20 -110.48 21.75 16.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 24' ' ' LYS . . . -59.93 -20.52 57.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.13 -59.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.223 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.89 ' HB3' ' CG1' ' A' ' 9' ' ' VAL . . . -69.43 -50.88 41.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.697 HD22 HG13 ' A' ' 47' ' ' VAL . 3.8 tp -47.58 -56.46 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 13.8 ttpt -43.8 -46.9 7.97 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.478 1.111 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -34.78 78.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.658 ' CE1' ' NE ' ' A' ' 46' ' ' ARG . 8.3 t80 -71.26 -42.67 68.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.588 HG22 HH11 ' A' ' 46' ' ' ARG . 47.0 t -67.38 -38.52 80.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.0 mt -65.59 -40.54 92.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -165.43 161.14 18.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.281 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.68 73.23 6.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.068 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.18 -54.82 0.23 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.559 HD13 ' N ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -60.1 154.67 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.559 ' N ' HD13 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -107.68 126.97 53.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.071 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.569 HD11 ' HG2' ' A' ' 46' ' ' ARG . 9.1 pt -139.99 169.61 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.227 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 13.1 m-20 -87.33 47.37 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.764 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 14.8 t -62.82 -8.65 7.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.24 -45.32 93.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.502 ' C ' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -121.1 34.22 5.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.764 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -104.66 -73.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.7 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -68.53 126.74 30.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.18 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 40' ' ' ASP . 4.7 mp -124.53 15.64 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.387 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -124.77 0.39 8.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 2.8 tt0 68.96 46.29 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.32 -36.84 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.437 ' HA3' ' NE ' ' A' ' 46' ' ' ARG . . . 148.29 -72.62 0.3 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.658 ' NE ' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -146.14 -63.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.773 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.697 HG13 HD22 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -162.97 92.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -79.53 -46.98 16.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.169 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 81.9 p 179.43 -36.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.952 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 m -67.71 -46.76 71.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.774 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.2 m-20 -65.65 -46.42 79.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.675 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -44.3 -59.76 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.63 -75.17 0.14 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -43.21 -47.06 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.774 HD12 ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -52.4 -60.2 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.646 ' O ' HD13 ' A' ' 60' ' ' LEU . 10.1 tttt -57.74 -10.48 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.431 ' N ' ' C ' ' A' ' 55' ' ' LEU . 0.6 OUTLIER -90.04 -46.48 8.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 1.158 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -90.17 -39.67 12.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.846 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.3 pp -59.85 -21.85 22.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.407 1.067 . . . . 0.0 109.24 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.646 HD13 ' O ' ' A' ' 56' ' ' LYS . 0.9 OUTLIER -49.26 -54.52 16.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -174.4 34.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.9 mt-10 -121.61 -6.74 9.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.256 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.502 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 1.9 tp -40.19 116.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 5.9 m-20 156.35 -25.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.02 -46.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.516 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.158 HD12 ' CE2' ' A' ' 58' ' ' TYR . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.665 HD12 ' OD2' ' A' ' 8' ' ' ASP . 2.3 pt? -167.17 138.0 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -136.34 128.29 29.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.673 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 64.2 57.15 14.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.095 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.665 ' OD2' HD12 ' A' ' 5' ' ' LEU . 3.8 t0 -91.86 145.54 24.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 0.72 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.656 ' CG2' HG23 ' A' ' 15' ' ' VAL . 1.4 t -94.33 -56.37 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -102.2 17.6 22.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 49.35 48.43 21.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.1 -47.39 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.73 -57.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.399 1.062 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.79 160.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.969 ' O ' HD22 ' A' ' 55' ' ' LEU . 10.1 p -77.72 112.97 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 19' ' ' ASP . 7.3 p-10 -151.62 -174.0 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.369 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -48.45 -23.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.7 m -73.28 -31.56 64.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.386 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 16' ' ' ASN . 0.6 OUTLIER -102.04 16.95 24.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.438 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -59.43 -41.18 88.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' ALA . 95.7 t -39.74 -60.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.518 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . . . -67.89 -29.86 69.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.6 tp -58.57 -60.25 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -45.74 -45.14 14.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -62.87 -34.39 77.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.651 ' CD1' ' NE ' ' A' ' 46' ' ' ARG . 10.9 t80 -80.05 -32.29 39.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 23' ' ' LEU . 21.8 t -71.47 -49.73 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.96 -41.89 64.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.568 1.168 . . . . 0.0 109.345 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.86 172.25 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.75 95.13 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.032 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.64 -44.1 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 19.3 tt -59.52 163.72 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.527 0.781 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.74 124.93 53.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pt -150.01 158.28 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.495 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -81.73 55.59 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 t -68.29 -8.04 36.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.02 -59.07 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.365 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 7' ' ' GLY . 3.2 p-10 -115.96 63.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.462 ' HA ' ' CA ' ' A' ' 7' ' ' GLY . . . -122.79 -84.82 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.23 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.556 ' O ' HD12 ' A' ' 41' ' ' LEU . 5.3 t70 -41.42 133.53 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -139.26 13.82 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.265 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.464 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 0.3 OUTLIER -143.96 15.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 34.2 mt-10 62.78 50.49 3.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.426 ' OD2' ' HB2' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -125.58 -36.51 2.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.448 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 127.8 -58.04 0.7 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.717 HH12 HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -145.48 -88.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 0.748 . . . . 0.0 110.314 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.76 ' CG1' HD13 ' A' ' 55' ' ' LEU . 27.4 m -139.11 102.22 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.96 -39.83 33.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.61 -36.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -81.48 -60.72 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.38 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.724 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -43.65 -53.91 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -39.54 -47.45 1.9 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.71 -53.14 47.55 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.527 HG21 HD21 ' A' ' 66' ' ' LEU . 10.9 mm -58.33 -44.98 89.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 0.732 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.969 HD22 ' O ' ' A' ' 15' ' ' VAL . 1.1 mp -56.96 -61.49 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.762 ' O ' HD13 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -59.87 -8.4 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.431 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -91.42 -50.79 5.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.377 1.048 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 1.032 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -86.75 -25.51 24.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.939 HG22 ' CE1' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -81.42 -14.77 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.762 HD13 ' O ' ' A' ' 56' ' ' LYS . 5.4 tp -49.99 -39.72 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.699 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -179.28 -34.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.442 1.089 . . . . 0.0 109.363 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.653 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.3 tt0 -55.46 -13.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.345 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.699 HG22 ' O ' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -16.0 110.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.445 ' N ' HD12 ' A' ' 63' ' ' ILE . 6.9 p-10 -176.81 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.421 ' N ' ' OD1' ' A' ' 64' ' ' ASP . 15.4 t -170.32 157.37 6.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.032 HD12 ' CE2' ' A' ' 58' ' ' TYR . 6.7 tt . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 5' ' ' LEU . 1.6 pt? -174.23 130.58 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.592 ' CE1' ' OD1' ' A' ' 38' ' ' ASN . 28.3 t80 -139.45 110.58 6.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.392 1.058 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 83.79 48.2 5.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 13' ' ' GLY . 2.9 t0 -86.33 121.14 28.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 0.726 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.799 HG11 ' HB3' ' A' ' 22' ' ' ALA . 4.8 t -73.44 -61.23 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 5.6 p30 -103.56 30.44 5.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.601 1.188 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.428 ' HA ' ' CG ' ' A' ' 8' ' ' ASP . 2.8 m-20 47.62 46.58 17.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -101.44 -54.89 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.461 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -160.73 -47.1 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.43 -176.84 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.504 HG23 ' CG2' ' A' ' 9' ' ' VAL . 7.3 p -104.58 102.98 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.437 ' OD1' HG21 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -146.82 -163.02 1.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.8 t -58.0 -17.32 16.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.7 m -72.22 -48.63 41.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.446 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.5 m-20 -93.56 23.12 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.426 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -59.51 -36.66 76.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.573 HG23 ' H ' ' A' ' 22' ' ' ALA . 12.1 m -45.76 -58.59 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.799 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -69.63 -22.36 63.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.808 HD11 HG22 ' A' ' 47' ' ' VAL . 1.5 tp -66.77 -59.42 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.37 -43.29 16.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -32.37 72.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 3.7 t80 -85.97 -33.63 21.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.88 -46.09 94.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -51.47 61.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -155.49 148.42 24.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.4 t -81.92 70.67 8.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.976 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.04 -37.5 1.03 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.511 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 15.1 tt -59.84 163.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 0.789 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.1 119.21 38.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.961 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.916 HD11 ' HD2' ' A' ' 46' ' ' ARG . 4.2 pt -151.03 171.38 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.176 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.664 ' ND2' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -83.87 41.54 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.846 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 1.2 t -38.3 -29.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 110.426 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 35' ' ' ASN . 2.6 m-20 -56.74 -67.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.592 ' OD1' ' CE1' ' A' ' 6' ' ' TYR . 8.0 t30 -75.39 -3.66 34.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.846 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -85.31 -66.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 46.5 t0 -59.7 146.53 40.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.433 ' CD2' ' OH ' ' A' ' 6' ' ' TYR . 9.9 mt -146.7 -49.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 39.6 p-10 -79.99 0.29 32.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 1.7 tt0 80.23 41.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -114.25 -34.83 5.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.41 ' C ' ' HD3' ' A' ' 46' ' ' ARG . . . 134.74 -57.47 0.69 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.445 1.091 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.916 ' HD2' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -148.42 -80.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 0.0 110.343 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.808 HG22 HD11 ' A' ' 23' ' ' LEU . 13.1 m -150.67 78.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.402 1.064 . . . . 0.0 109.25 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 49' ' ' SER . 7.4 p30 -63.3 -29.89 71.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 159.15 -26.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.055 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.2 m -81.48 -44.28 17.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.92 -32.02 45.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.651 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -41.18 -52.57 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -57.96 -68.99 1.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -40.04 -45.27 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.818 ' O ' HG23 ' A' ' 59' ' ' ILE . 2.1 mm? -56.84 -61.67 2.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.51 ' O ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -66.55 -3.31 6.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -90.31 -47.41 7.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.964 ' CD2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -91.26 -40.61 11.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.874 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.1 pp -58.08 -17.74 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 56' ' ' LYS . 2.7 tp -52.41 -59.51 4.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.92 34.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' ILE . 15.1 mt-10 -124.36 -0.11 8.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.506 HD12 ' HE1' ' A' ' 58' ' ' TYR . 0.2 OUTLIER -39.53 121.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 169.2 -54.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 t -123.98 -37.81 2.54 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.964 HD12 ' CD2' ' A' ' 58' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.598 1.186 . . . . 0.0 109.332 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.528 ' C ' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.609 ' HA ' HD11 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -178.94 170.65 1.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.893 ' CD2' HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -137.38 113.76 10.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.579 ' H ' ' ND2' ' A' ' 38' ' ' ASN . . . 34.15 58.97 0.63 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.432 1.082 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.534 ' HB2' HD12 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -57.16 151.63 15.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.984 ' CG2' HG23 ' A' ' 15' ' ' VAL . 57.9 t -88.87 -54.89 7.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.432 ' C ' ' CG ' ' A' ' 11' ' ' ASP . 2.1 p30 -116.12 24.62 11.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.432 ' CG ' ' C ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER 48.88 52.62 13.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.64 -33.06 6.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.416 ' C ' ' HG3' ' A' ' 14' ' ' LYS . . . -174.34 -59.69 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.45 ' CD ' ' OD1' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -167.19 168.43 13.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.347 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.984 HG23 ' CG2' ' A' ' 9' ' ' VAL . 9.5 p -86.39 111.71 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 0.2 OUTLIER -160.43 -174.2 4.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.373 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.1 t -47.47 -31.22 4.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.983 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.1 m -57.61 -25.88 60.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.436 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -114.41 23.15 13.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.64 -16.9 29.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.242 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.8 t -62.95 -60.34 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.903 ' HB1' HD13 ' A' ' 32' ' ' ILE . . . -69.24 -51.26 39.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.722 HD13 HG22 ' A' ' 47' ' ' VAL . 1.3 tp -43.8 -57.04 3.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.71 -45.87 29.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -26.54 67.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.679 ' CE1' ' NH1' ' A' ' 46' ' ' ARG . 1.5 t80 -77.35 -59.41 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.6 t -49.98 -41.24 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.225 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -48.28 75.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -162.05 163.33 28.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.1 p -95.99 109.63 21.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.05 -59.9 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.451 1.094 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.903 HD13 ' HB1' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -60.0 158.11 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.59 119.47 39.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.894 HD11 ' HD3' ' A' ' 46' ' ' ARG . 4.2 pt -136.94 176.61 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 1.8 m-20 -93.71 60.65 3.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.484 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 2.9 t -68.93 -7.48 35.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.413 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.56 -65.47 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.579 ' ND2' ' H ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -105.95 42.25 1.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.484 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -94.58 -86.47 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.78 ' O ' HD13 ' A' ' 41' ' ' LEU . 4.0 t70 -77.13 143.89 38.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.1 mm? -125.63 35.37 4.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.407 ' OD1' ' OD1' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -138.33 10.47 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.421 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 0.7 OUTLIER 62.36 50.68 3.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.473 ' CB ' ' OD1' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -124.03 -38.44 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.49 ' CA ' ' NH1' ' A' ' 46' ' ' ARG . . . 147.62 -73.54 0.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.575 1.172 . . . . 0.0 111.014 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.894 ' HD3' HD11 ' A' ' 34' ' ' ILE . 2.0 mtm-85 -137.21 -83.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.722 HG22 HD13 ' A' ' 23' ' ' LEU . 20.8 m -141.03 120.54 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.473 ' OD1' ' CB ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -99.82 -44.68 5.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.1 t 179.44 -36.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.531 1.144 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.4 m -75.94 -38.79 57.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 110.384 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 52' ' ' LEU . 1.5 m-20 -67.14 -58.48 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -39.18 -42.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.29 -70.44 0.97 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.461 HG22 ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -52.82 -39.56 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.821 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -60.26 -59.39 5.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -61.3 -8.18 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.405 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -90.45 -48.7 6.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 1.203 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -87.46 -40.02 14.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.943 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.3 pp -57.94 -17.26 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -32.0 62.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.78 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.488 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 mt-10 -54.57 -15.87 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.075 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.691 HD12 ' HE1' ' A' ' 58' ' ' TYR . 0.5 OUTLIER -33.09 110.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.44 ' OD1' ' CE ' ' A' ' 4' ' ' LYS . 2.0 t70 166.28 -54.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 t -118.46 -34.15 4.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.203 HD12 ' CE2' ' A' ' 58' ' ' TYR . 1.2 tt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.666 HD23 ' N ' ' A' ' 5' ' ' LEU . 1.4 pt? -176.24 154.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.972 ' CE1' HD21 ' A' ' 41' ' ' LEU . 2.4 t80 -150.36 124.99 9.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.39 1.056 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.65 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 63.73 61.79 5.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.579 1.175 . . . . 0.0 111.024 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.78 150.15 21.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 109.375 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.877 ' CG2' HG23 ' A' ' 15' ' ' VAL . 84.4 t -99.22 -56.04 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.375 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.42 ' O ' ' CG ' ' A' ' 11' ' ' ASP . 1.4 p30 -108.01 25.18 11.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 10' ' ' ASN . 3.8 p-10 48.76 41.48 18.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.33 -51.8 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.93 -48.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.437 ' CD ' ' HB ' ' A' ' 59' ' ' ILE . 0.4 OUTLIER 179.59 168.08 1.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 0.754 . . . . 0.0 109.236 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.877 HG23 ' CG2' ' A' ' 9' ' ' VAL . 14.7 p -85.23 110.14 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.456 HD22 ' N ' ' A' ' 16' ' ' ASN . 0.4 OUTLIER -149.55 -173.96 4.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 t -48.56 -23.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.2 m -69.82 -42.28 73.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 110.412 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -92.48 25.45 3.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.452 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -62.35 -38.74 90.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.24 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ALA . 71.1 t -40.67 -60.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.753 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -68.89 -30.53 69.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.796 HD11 HG22 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -57.89 -60.37 3.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -46.11 -47.23 17.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.406 1.066 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 29' ' ' ARG . 1.1 mtt-85 -62.78 -32.73 73.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 2.9 t80 -73.14 -45.73 55.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 23' ' ' LEU . 20.2 t -59.63 -46.71 92.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 109.328 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.63 -45.13 92.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -172.91 178.57 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.267 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.59 96.01 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -134.85 -50.06 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.724 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 1.1 pt -59.84 157.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m -101.13 120.97 40.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.688 ' CG2' HD12 ' A' ' 32' ' ' ILE . 2.9 pt -141.39 178.7 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.84 64.79 1.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.412 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 5.5 t -66.98 -11.08 55.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' THR . 2.8 m-20 -39.67 -72.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.18 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.406 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.8 OUTLIER -110.65 55.53 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.422 ' HA ' ' CA ' ' A' ' 7' ' ' GLY . . . -109.25 -73.03 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -54.4 138.18 40.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.972 HD21 ' CE1' ' A' ' 6' ' ' TYR . 3.4 mt -134.46 -46.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.47 ' ND2' ' OD2' ' A' ' 44' ' ' ASP . 47.8 p-10 -81.75 5.35 18.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 66.7 36.42 4.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.47 ' OD2' ' ND2' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -113.86 -31.97 6.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 143.82 -68.21 0.43 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -147.71 -77.76 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 0.79 . . . . 0.0 110.235 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.893 ' CG1' HD13 ' A' ' 55' ' ' LEU . 1.8 m -140.71 75.93 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.73 -46.9 87.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.89 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.0 m -86.65 -37.91 17.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.142 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.492 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -65.51 -49.87 67.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.492 HD11 ' HD2' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -46.14 -49.38 16.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.419 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -52.97 -24.99 22.52 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.461 ' HA ' HD13 ' A' ' 54' ' ' ILE . 0.2 OUTLIER -90.38 -43.55 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.893 HD13 ' CG1' ' A' ' 47' ' ' VAL . 1.7 mp -64.54 -54.18 36.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.605 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -61.85 -5.91 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.244 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.439 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -90.82 -48.57 6.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.952 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -90.35 -27.35 19.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.952 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -78.54 0.36 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.61 1.193 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -71.45 -53.73 12.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -176.97 -32.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.5 mt-10 -71.2 5.03 2.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.207 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.479 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -33.96 131.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 1.9 m-20 158.98 57.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 0.0 109.372 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 64' ' ' ASP . 24.7 m 73.7 77.23 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.392 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.821 HD12 ' CE2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.5 tptm . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.797 HD22 ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -164.22 147.75 9.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -145.55 110.95 5.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.669 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 80.38 59.38 2.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.583 ' OD2' HD23 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -91.83 151.01 20.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.995 ' CG2' HG23 ' A' ' 15' ' ' VAL . 55.3 t -96.31 -60.36 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -109.06 27.36 9.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 49.8 50.25 18.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.02 -51.71 2.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.413 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -160.36 -47.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.615 ' HG3' HG21 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -177.06 167.62 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 0.0 109.343 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.995 HG23 ' CG2' ' A' ' 9' ' ' VAL . 12.6 p -86.39 111.87 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.481 ' ND2' HG22 ' A' ' 18' ' ' THR . 1.0 OUTLIER -160.01 -173.03 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.443 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . 10.9 t -41.87 -43.28 2.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 109.955 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.481 HG22 ' ND2' ' A' ' 16' ' ' ASN . 3.1 t -46.74 -39.34 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.476 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.439 ' HB3' HG11 ' A' ' 9' ' ' VAL . 6.1 m-20 -104.42 29.94 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.593 1.183 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.443 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . -65.95 -15.41 62.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.344 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.5 t -76.65 -60.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.681 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -66.44 -19.47 65.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.732 HD13 ' C ' ' A' ' 23' ' ' LEU . 1.7 tm? -78.78 -60.26 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.438 ' N ' HD13 ' A' ' 23' ' ' LEU . 1.5 ttpt -49.74 -29.28 7.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -72.79 -31.81 65.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.712 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 5.3 t80 -84.6 -40.87 16.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.481 HG23 HH22 ' A' ' 46' ' ' ARG . 0.3 OUTLIER -68.76 -36.23 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.9 tp -77.65 -17.12 58.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.142 . . . . 0.0 109.382 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 176.19 119.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.8 p -69.61 76.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.989 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.421 ' N ' ' HD3' ' A' ' 29' ' ' ARG . . . -128.38 -42.48 0.25 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.587 1.18 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.516 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 4.0 tt -59.5 155.89 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.409 ' N ' HG12 ' A' ' 32' ' ' ILE . 27.8 p -100.96 120.63 40.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.956 HD11 ' HD2' ' A' ' 46' ' ' ARG . 3.6 pt -146.04 153.47 13.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.52 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -69.81 63.15 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.595 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 14.1 t -70.74 -4.22 22.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.414 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.3 -62.17 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.478 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -119.59 45.93 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -101.64 -53.85 2.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.525 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 4.2 t70 -66.96 141.39 57.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mt -143.68 14.81 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.438 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.0 m120 -145.61 11.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.502 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 3.1 tt0 67.33 47.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -126.81 -35.85 2.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.525 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 134.06 -54.6 0.76 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.956 ' HD2' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -149.83 -87.19 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.586 HG22 ' HG ' ' A' ' 23' ' ' LEU . 6.0 m -140.16 139.5 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.91 -44.48 2.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.513 ' O ' ' CD1' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -178.26 -36.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.5 m -97.71 -27.72 14.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.478 ' CB ' ' HA ' ' A' ' 47' ' ' VAL . 0.2 OUTLIER -64.29 -58.18 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.18 . . . . 0.0 109.244 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.926 HD13 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -44.7 -36.92 3.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.926 ' N ' HD13 ' A' ' 52' ' ' LEU . . . -53.78 -34.81 51.5 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.528 1.142 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.759 HG22 HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -80.43 -48.95 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.34 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.764 ' O ' HG23 ' A' ' 59' ' ' ILE . 4.2 mm? -52.01 -61.44 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.95 -14.16 5.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -88.05 -60.87 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 110.251 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.988 ' CD2' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -67.99 -25.64 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.764 HG23 ' O ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -88.97 0.81 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.77 -34.39 76.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.482 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER 179.45 -34.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.49 ' O ' ' C ' ' A' ' 63' ' ' ILE . 10.9 mm-40 -59.34 -11.36 4.11 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.56 1.162 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.541 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -33.28 120.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER 152.55 -54.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 t -120.19 -32.23 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.988 HD12 ' CD2' ' A' ' 58' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 29.2 mttt . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.433 ' CD1' ' OD1' ' A' ' 11' ' ' ASP . 1.1 pt? -173.02 129.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 1.013 ' CZ ' HD13 ' A' ' 41' ' ' LEU . 28.5 t80 -133.34 95.12 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 67.38 41.03 91.57 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.445 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 6.8 t0 -59.41 154.01 17.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 0.797 . . . . 0.0 109.225 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.675 HG11 ' HB3' ' A' ' 22' ' ' ALA . 21.7 t -90.17 -60.84 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.467 ' ND2' ' OD2' ' A' ' 12' ' ' ASP . 8.1 p30 -88.43 -13.67 39.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.433 ' OD1' ' CD1' ' A' ' 5' ' ' LEU . 6.8 t0 70.66 50.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.467 ' OD2' ' ND2' ' A' ' 10' ' ' ASN . 0.9 OUTLIER -118.2 -34.34 4.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 12' ' ' ASP . . . -150.71 -67.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -171.98 158.88 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.647 HG13 ' CD1' ' A' ' 55' ' ' LEU . 2.7 p -78.71 114.78 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 14' ' ' LYS . 1.1 p30 -160.19 -174.36 4.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 t -48.59 -23.36 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.403 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 94.1 m -70.56 -34.69 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.423 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.457 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 63.4 m-20 -92.83 25.53 3.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.59 -35.25 75.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.2 t -47.84 -60.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.675 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -67.48 -19.73 65.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.775 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.6 tp -72.46 -61.82 1.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.378 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -40.45 -40.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -43.35 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.703 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 5.3 t80 -67.85 -31.8 71.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 23' ' ' LEU . 24.0 t -70.35 -51.65 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.393 1.058 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -27.96 50.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' NH1' ' CA ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 178.26 173.35 0.64 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.18 86.19 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.067 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.473 ' CA ' ' NH1' ' A' ' 29' ' ' ARG . . . -133.05 -41.88 0.17 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 20.0 tt -59.1 157.77 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 0.784 . . . . 0.0 109.349 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -99.49 119.99 38.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.731 HD11 ' HD2' ' A' ' 46' ' ' ARG . 2.4 pt -148.77 159.54 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.976 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 1.7 m-80 -65.33 73.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.5 OUTLIER -70.92 -0.43 9.21 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.44 -75.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.238 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.508 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -111.62 29.16 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.976 ' HB2' ' O ' ' A' ' 35' ' ' ASN . . . -68.51 -52.39 32.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.504 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 4.6 t70 -88.85 143.28 27.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 1.013 HD13 ' CZ ' ' A' ' 6' ' ' TYR . 2.1 mp -142.51 17.25 2.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 1.0 OUTLIER -146.62 18.33 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.266 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 57.32 33.69 23.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.412 ' OD2' ' OD1' ' A' ' 51' ' ' ASP . 10.4 m-20 -115.04 -31.83 5.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.504 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 126.35 -56.9 0.71 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.731 ' HD2' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -156.88 -95.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 110.22 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.78 ' O ' HG23 ' A' ' 47' ' ' VAL . 6.8 m -130.93 82.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -77.02 -37.56 54.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.896 ' HA ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER 169.57 -34.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 109.944 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -79.88 -40.52 28.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.584 1.178 . . . . 0.0 110.361 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.506 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -75.92 -39.23 56.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.08 . . . . 0.0 109.244 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.896 HD23 ' HA ' ' A' ' 49' ' ' SER . 0.2 OUTLIER -38.97 -46.62 1.35 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -52.45 -83.55 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.552 HG22 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -43.12 -44.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.387 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.787 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -53.69 -59.8 4.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.533 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -69.87 -5.45 25.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -91.71 -41.48 10.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.891 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -88.93 -41.69 12.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.891 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.6 pp -59.7 -23.93 27.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -45.39 -36.26 4.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.12 -34.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 63' ' ' ILE . 2.0 mt-10 -50.73 -18.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.512 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -31.11 100.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 62' ' ' GLU . 17.9 t0 170.43 -32.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.6 t -147.54 -45.58 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.42 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.842 ' O ' HD23 ' A' ' 66' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.586 HD12 ' HB2' ' A' ' 8' ' ' ASP . 1.9 pt? -174.7 160.66 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.233 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.763 ' CE1' HD21 ' A' ' 41' ' ' LEU . 2.2 t80 -148.88 115.14 5.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.528 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 56.22 61.9 6.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.563 1.165 . . . . 0.0 110.969 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.586 ' HB2' HD12 ' A' ' 5' ' ' LEU . 4.0 t0 -80.48 150.8 29.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.941 ' CG2' HG23 ' A' ' 15' ' ' VAL . 62.0 t -94.63 -60.21 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -106.06 24.12 12.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.235 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 t70 50.06 49.49 20.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.0 -49.53 3.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.18 -52.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.82 161.06 1.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.941 HG23 ' CG2' ' A' ' 9' ' ' VAL . 14.3 p -77.57 114.52 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 7.1 p-10 -152.41 -175.4 5.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -49.91 -22.16 1.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.993 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.2 m -68.57 -35.3 77.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.423 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -100.18 21.88 12.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.73 -32.86 74.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.3 t -48.91 -60.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.796 ' HB1' HD13 ' A' ' 32' ' ' ILE . . . -66.07 -19.79 65.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.71 HD22 HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -72.62 -59.76 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -40.43 -43.97 1.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.386 1.054 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 29' ' ' ARG . 3.3 mtt-85 -67.62 -40.93 84.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 23' ' ' LEU . 33.6 t80 -59.87 -54.78 42.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.71 HG23 HD22 ' A' ' 23' ' ' LEU . 4.2 t -55.86 -49.23 76.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -53.99 52.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -153.86 -179.96 8.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.301 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.3 p -115.49 74.64 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.72 -54.65 0.56 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.829 HD12 HG23 ' A' ' 34' ' ' ILE . 1.1 pt -59.78 179.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 t -130.81 128.28 40.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.972 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.829 HG23 HD12 ' A' ' 32' ' ' ILE . 2.7 pt -142.07 155.24 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.524 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -69.71 66.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.567 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 1.7 t -65.68 -11.65 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.173 . . . . 0.0 110.436 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.97 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.528 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -109.97 39.07 2.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 45' ' ' GLY . . . -69.98 -82.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.483 ' HB2' ' CA ' ' A' ' 46' ' ' ARG . 8.8 t0 -91.89 164.93 13.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.763 HD21 ' CE1' ' A' ' 6' ' ' TYR . 2.2 mm? -113.3 -26.17 8.5 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 5.8 m120 -71.48 -16.26 62.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 2.4 tt0 81.46 50.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.88 -36.53 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.57 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . 159.87 -65.61 0.28 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.11 . . . . 0.0 111.059 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.837 ' HB2' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -161.8 -61.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.424 0.72 . . . . 0.0 110.335 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.516 HG23 ' HG ' ' A' ' 23' ' ' LEU . 1.1 m -141.41 113.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.1 -50.76 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.516 ' O ' ' CD1' ' A' ' 52' ' ' LEU . 0.4 OUTLIER 172.45 -32.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 1.178 . . . . 0.0 110.014 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.6 m -100.36 -14.44 18.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -90.25 -47.5 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.938 HD13 ' H ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -49.93 -37.64 32.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.611 1.195 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.938 ' H ' HD13 ' A' ' 52' ' ' LEU . . . -51.96 -44.91 56.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.427 1.08 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.531 HD13 ' HA ' ' A' ' 54' ' ' ILE . 0.7 OUTLIER -72.21 -35.28 52.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.444 0.732 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.89 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -65.48 -61.62 1.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.82 -6.15 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.467 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -90.69 -54.46 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.952 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -84.3 -28.64 26.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.952 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 0.8 OUTLIER -76.02 -18.93 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 tp -40.78 -35.56 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER 178.68 -29.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.204 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.6 mt-10 -78.16 25.74 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -33.87 143.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.741 ' HB2' HD12 ' A' ' 63' ' ' ILE . 9.6 t0 89.6 -27.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 9.2 m -79.33 52.05 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.935 HD12 ' CE2' ' A' ' 58' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.375 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.61 ' HB3' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.748 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -148.68 164.05 35.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.631 ' O ' HG12 ' A' ' 15' ' ' VAL . 10.0 t80 -130.76 109.97 10.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.706 ' H ' ' ND2' ' A' ' 38' ' ' ASN . . . 37.58 55.03 1.72 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.473 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 6.0 t0 -61.94 154.36 26.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.691 ' CG1' ' HB3' ' A' ' 22' ' ' ALA . 99.4 t -88.47 -60.71 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.448 ' ND2' ' OD2' ' A' ' 12' ' ' ASP . 11.8 p30 -90.82 -13.95 32.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 14.8 t0 71.38 50.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.448 ' OD2' ' ND2' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -116.89 -33.07 4.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.404 ' C ' ' OD2' ' A' ' 8' ' ' ASP . . . -152.91 -67.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.579 ' HE2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -173.75 150.58 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.765 . . . . 0.0 109.341 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.838 HG13 ' CD2' ' A' ' 55' ' ' LEU . 2.7 p -61.63 117.25 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.507 ' HB3' HD12 ' A' ' 59' ' ' ILE . 52.3 p30 -159.88 -165.3 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 41.8 t -59.08 -41.52 88.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.6 m -53.34 -26.43 19.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -96.88 18.31 14.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 109.36 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.587 ' HA ' HD22 ' A' ' 23' ' ' LEU . . . -61.68 -32.9 73.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 t -53.25 -61.14 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.691 ' HB3' ' CG1' ' A' ' 9' ' ' VAL . . . -65.88 -48.1 72.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.874 HD23 ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -49.51 -54.43 17.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.874 ' N ' HD23 ' A' ' 23' ' ' LEU . 63.7 tttt -44.2 -47.64 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.25 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HB2' HG21 ' A' ' 32' ' ' ILE . 17.5 mmm180 -65.07 -34.56 78.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.115 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.651 ' CE1' ' NE ' ' A' ' 46' ' ' ARG . 34.2 t80 -74.91 -32.1 61.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 23' ' ' LEU . 31.6 t -75.87 -51.52 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -34.33 62.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.82 173.42 4.53 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -106.44 85.78 2.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.555 1.159 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.72 -44.75 0.08 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 17.2 tt -59.96 154.6 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.415 ' C ' ' CG2' ' A' ' 34' ' ' ILE . 84.2 p -99.79 118.67 36.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.93 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.415 ' CG2' ' C ' ' A' ' 33' ' ' SER . 0.5 OUTLIER -150.22 151.0 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 0.9 OUTLIER -70.69 67.91 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.595 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 4.3 t -86.04 24.78 1.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -88.28 -39.18 14.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.706 ' ND2' ' H ' ' A' ' 7' ' ' GLY . 1.7 p-10 -121.61 12.8 10.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -85.78 -29.34 23.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.861 ' O ' HD13 ' A' ' 41' ' ' LEU . 46.8 t0 -98.47 129.7 45.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.861 HD13 ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -128.57 -42.54 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -84.33 6.85 21.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 65.85 43.95 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.8 p30 -116.19 -36.96 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 46' ' ' ARG . . . 144.45 -71.17 0.38 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.651 ' NE ' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -145.15 -82.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 1.113 HG12 HD13 ' A' ' 55' ' ' LEU . 15.6 m -139.18 75.41 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.44 ' CG ' ' N ' ' A' ' 49' ' ' SER . 8.3 p30 -61.53 -47.93 83.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 48' ' ' ASN . 3.1 t 178.4 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 110.083 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.07 -40.13 47.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.63 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -74.41 -41.62 60.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 47' ' ' VAL . 0.2 OUTLIER -40.22 -61.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -52.37 -58.83 9.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -48.27 -50.55 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.345 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 1.113 HD13 HG12 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -59.39 -60.59 3.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.441 ' HA ' HG12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.07 -7.94 2.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -91.95 -47.94 7.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 1.189 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -85.51 -39.57 17.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.954 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.2 pt -62.11 -13.85 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.427 1.079 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tp -56.37 -33.15 65.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.97 -36.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.509 ' O ' ' C ' ' A' ' 63' ' ' ILE . 55.5 mm-40 -51.86 -19.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.744 HD13 ' C ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -30.99 108.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 4.8 m-20 156.9 -23.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.9 t -139.05 -46.09 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.189 HD12 ' CE2' ' A' ' 58' ' ' TYR . 3.7 tt . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.772 HD22 ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -167.5 148.7 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.244 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.602 ' CE1' HD21 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -147.65 119.02 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 64.43 59.93 7.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.704 ' HB2' HD23 ' A' ' 5' ' ' LEU . 3.5 t0 -89.73 121.03 31.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.789 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.756 HG11 ' NH2' ' A' ' 46' ' ' ARG . 72.2 t -74.93 -60.98 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -102.1 30.31 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.256 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t0 48.37 41.84 17.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.611 1.194 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 1.4 t70 -92.91 -56.53 2.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.464 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -162.99 -42.51 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.475 ' CG ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -171.5 -165.7 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.276 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.759 HG21 ' HB3' ' A' ' 46' ' ' ARG . 2.9 p -113.69 103.96 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.45 HD22 ' N ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -142.03 -172.23 3.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.169 . . . . 0.0 109.352 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.3 t -49.39 -23.84 1.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.4 m -65.45 -47.25 76.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 14' ' ' LYS . 96.4 m-20 -94.46 30.49 1.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.96 -2.03 42.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.6 t -76.54 -60.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.183 . . . . 0.0 109.251 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.729 ' HB3' HH22 ' A' ' 46' ' ' ARG . . . -63.84 -26.63 68.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.658 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -69.62 -56.73 6.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.548 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -45.46 -37.05 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -81.15 -29.75 34.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.786 ' CD1' HD11 ' A' ' 32' ' ' ILE . 23.6 t80 -65.45 -33.93 77.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -90.43 -40.26 12.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.476 HD13 ' HE2' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -69.76 -31.86 70.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.54 ' O ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -125.02 -67.27 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.346 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 1.3 t 88.09 52.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.433 ' N ' ' CD ' ' A' ' 29' ' ' ARG . . . -151.79 48.82 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.786 HD11 ' CD1' ' A' ' 26' ' ' TYR . 1.6 pp -123.22 164.11 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.31 118.39 31.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.607 HG21 HG13 ' A' ' 9' ' ' VAL . 24.8 pt -149.59 171.81 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.584 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -81.04 45.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.535 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 1.8 t -39.49 -28.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.422 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' ASN . 6.4 m-20 -39.49 -74.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -110.26 38.11 2.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.535 ' HB2' ' HA ' ' A' ' 36' ' ' THR . . . -64.99 -67.98 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 43' ' ' GLU . 1.0 OUTLIER -115.04 165.14 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.602 HD21 ' CE1' ' A' ' 6' ' ' TYR . 2.3 mm? -114.7 -26.72 7.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.501 ' CB ' ' OD1' ' A' ' 44' ' ' ASP . 29.9 m120 -64.61 -11.61 36.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.45 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 4.4 mt-10 70.4 39.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.501 ' OD1' ' CB ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -116.46 -33.15 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.409 ' C ' ' HG3' ' A' ' 46' ' ' ARG . . . 156.78 -77.15 0.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.759 ' HB3' HG21 ' A' ' 15' ' ' VAL . 12.4 mtp180 -140.25 -73.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.647 ' O ' HG23 ' A' ' 47' ' ' VAL . 16.0 m -144.63 100.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.92 -40.95 75.25 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.587 1.179 . . . . 0.0 109.225 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.655 ' HA ' HD21 ' A' ' 52' ' ' LEU . 0.4 OUTLIER 174.92 -34.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' ASP . 16.9 m -89.85 -51.63 5.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.44 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.534 ' O ' HD23 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -39.7 -56.09 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.837 HD12 ' N ' ' A' ' 53' ' ' GLY . 3.1 pp -38.56 -54.48 1.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.837 ' N ' HD12 ' A' ' 52' ' ' LEU . . . -46.6 -74.61 0.22 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.1 -39.35 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.912 ' O ' HG23 ' A' ' 59' ' ' ILE . 3.0 mm? -57.69 -63.39 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.476 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -64.79 -3.5 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -91.18 -49.2 6.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 110.266 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.962 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -91.01 -30.71 16.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 110.957 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.962 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 0.8 OUTLIER -71.84 -24.22 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.351 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.914 HD13 ' O ' ' A' ' 60' ' ' LEU . 1.8 tm? -92.0 4.09 53.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -116.84 -111.47 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -82.68 -4.97 58.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.4 tp 32.12 90.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.356 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER 158.88 -35.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.7 m -72.39 -72.68 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 110.403 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.945 HD12 ' CE2' ' A' ' 58' ' ' TYR . 7.1 tt . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.6 HD23 ' OD2' ' A' ' 8' ' ' ASP . 0.4 OUTLIER -80.86 132.49 35.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.227 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.593 ' CE1' HD21 ' A' ' 41' ' ' LEU . 3.1 t80 -150.36 123.48 8.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 92.21 15.56 53.29 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.6 ' OD2' HD23 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -64.16 91.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.612 0.831 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.869 HG21 ' NH1' ' A' ' 46' ' ' ARG . 42.9 t -61.1 -60.75 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -105.83 29.23 6.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.216 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.452 ' HA ' ' CG ' ' A' ' 8' ' ' ASP . 1.1 m-20 48.6 61.21 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -118.72 -54.54 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.352 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -151.93 -57.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.402 1.064 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HE2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -172.17 -171.73 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.545 ' CG2' ' NE ' ' A' ' 46' ' ' ARG . 8.4 p -87.52 113.63 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.429 ' ND2' ' HE2' ' A' ' 14' ' ' LYS . 15.8 p-10 -160.61 170.7 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.353 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 3.3 t -46.48 -33.59 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 m -50.67 -33.46 22.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.402 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.463 ' CG ' ' HB ' ' A' ' 9' ' ' VAL . 87.6 m-20 -96.92 24.39 6.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.389 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 17' ' ' SER . . . -59.94 -37.94 80.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.4 t -46.99 -43.3 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.598 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -81.13 -58.77 2.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.779 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -42.67 -47.37 5.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.47 -58.89 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -62.16 -37.47 85.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.664 ' HB2' HD11 ' A' ' 32' ' ' ILE . 59.9 t80 -63.83 -34.52 78.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.062 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 23' ' ' LEU . 38.9 t -83.27 -48.37 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -35.91 71.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -164.21 -174.12 3.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.69 74.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.953 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.427 ' N ' ' HD3' ' A' ' 29' ' ' ARG . . . -122.99 -50.85 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.664 HD11 ' HB2' ' A' ' 26' ' ' TYR . 2.8 pp -59.87 160.68 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.2 p -117.07 125.71 51.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.408 1.068 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.544 HG21 HG13 ' A' ' 9' ' ' VAL . 22.4 pt -139.75 -179.77 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.488 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 2.3 p30 -85.79 40.62 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.537 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -38.47 -29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.8 m-20 -44.15 -59.09 2.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.508 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.7 p-10 -119.47 49.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.246 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.537 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -105.58 -49.96 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 43' ' ' GLU . 1.6 t70 -79.5 141.24 36.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.593 HD21 ' CE1' ' A' ' 6' ' ' TYR . 1.5 mp -139.6 13.6 2.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.412 ' CG ' ' OD1' ' A' ' 51' ' ' ASP . 12.2 m120 -141.32 14.9 2.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.457 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 2.3 mt-10 58.57 34.0 23.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 6.3 m-20 -114.26 -32.14 6.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 132.54 -44.48 1.2 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.869 ' NH1' HG21 ' A' ' 9' ' ' VAL . 9.2 mtp180 -167.17 -92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 0.798 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.592 ' CG2' HD22 ' A' ' 23' ' ' LEU . 34.1 m -142.84 102.25 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.16 -34.06 29.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.74 -32.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.962 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.5 m -88.09 -63.72 1.26 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' THR . 1.4 m-20 -36.99 -40.03 0.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -39.59 -61.27 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -37.17 -80.42 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -39.16 -50.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.86 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -51.66 -60.54 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.706 ' O ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -69.33 -2.43 10.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.368 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -93.1 -53.72 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 1.13 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -73.3 -40.92 64.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 111.028 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.909 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 3.1 pt -63.68 -26.3 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.706 HD13 ' O ' ' A' ' 56' ' ' LYS . 4.0 tp -40.52 -56.13 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.408 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 0.8 OUTLIER -175.86 35.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 58' ' ' TYR . 2.4 mm-40 -125.36 -3.45 7.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.557 HD12 ' HE1' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -40.75 114.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 168.51 -34.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -137.23 -44.11 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 110.439 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.13 HD12 ' CE2' ' A' ' 58' ' ' TYR . 5.3 tt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.7 mttp . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.524 HD12 ' HB2' ' A' ' 8' ' ' ASP . 1.4 pt? -172.52 150.53 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.522 ' OH ' HD12 ' A' ' 41' ' ' LEU . 21.4 t80 -150.26 96.5 2.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.62 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 101.65 55.64 0.88 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.524 ' HB2' HD12 ' A' ' 5' ' ' LEU . 3.3 t0 -90.19 149.83 22.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.968 ' CG2' HG23 ' A' ' 15' ' ' VAL . 46.9 t -94.32 -56.29 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.456 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 1.7 p30 -109.5 26.75 10.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t0 50.05 42.71 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 109.248 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -99.91 -52.08 3.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.77 -49.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.382 1.051 . . . . 0.0 111.057 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.417 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -173.47 179.67 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.743 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.968 HG23 ' CG2' ' A' ' 9' ' ' VAL . 9.1 p -96.36 94.02 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.22 -170.27 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 15.1 t -51.35 -38.09 51.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.955 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.1 m -49.79 -43.81 48.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.398 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.456 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 97.5 m-20 -96.51 24.71 5.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -59.64 -40.48 87.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.1 t -41.81 -60.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.595 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -61.06 -45.31 95.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.956 HD11 ' HB2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -50.66 -60.53 2.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -40.42 -44.24 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -47.9 68.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.686 ' CE1' ' CZ ' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -59.43 -45.28 91.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.142 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 23' ' ' LEU . 15.8 t -61.36 -56.89 14.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.87 -41.68 58.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -162.07 161.02 28.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 110.276 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.3 m -99.59 69.7 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.7 -37.22 0.68 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 13.0 tt -59.61 160.92 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.71 121.53 45.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 110.015 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.741 HD11 ' HD3' ' A' ' 46' ' ' ARG . 3.2 pt -146.48 165.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.471 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -86.37 59.9 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.838 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 5.3 t -61.17 -10.51 6.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.381 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.7 OUTLIER -34.18 -69.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.52 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -119.33 36.33 4.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.838 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -96.64 -18.04 19.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -115.68 104.02 11.27 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.699 HD22 ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -112.67 52.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 9.4 m120 -163.4 -30.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 1.8 tt0 86.91 35.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.444 ' OD1' ' CB ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -115.04 -30.97 6.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.247 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.53 ' CA ' ' NH2' ' A' ' 46' ' ' ARG . . . 154.96 -77.77 0.2 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.956 ' HB2' HD11 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -153.99 -66.44 0.14 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 0.784 . . . . 0.0 110.352 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.786 HG22 ' HG ' ' A' ' 23' ' ' LEU . 18.3 m -146.67 71.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.118 . . . . 0.0 109.203 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 49' ' ' SER . 7.9 p30 -59.55 -40.62 87.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 166.41 -31.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 m -81.21 -33.64 32.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' LEU . 1.2 t0 -73.91 -43.73 57.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -38.77 -60.61 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -53.16 -72.61 0.51 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.146 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.434 HG22 ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -40.0 -42.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.527 0.781 . . . . 0.0 109.281 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 59' ' ' ILE . 1.2 mm? -62.45 -61.54 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.463 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -62.91 -5.0 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -90.62 -49.61 6.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.9 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -90.35 -31.05 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.9 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -72.32 -20.17 19.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.946 HD13 ' O ' ' A' ' 60' ' ' LEU . 2.3 tm? -93.96 1.63 56.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -118.5 -111.75 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.422 1.076 . . . . 0.0 109.211 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 mt-10 -77.83 -9.41 59.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.861 HD13 ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER 30.91 90.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.369 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.612 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER 146.36 -20.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 66' ' ' LEU . 7.2 m -84.48 -45.14 12.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.128 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.864 HD12 ' CE2' ' A' ' 58' ' ' TYR . 5.4 tt . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.793 HD22 ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -149.27 147.71 28.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.707 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.9 t80 -150.45 112.67 4.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.632 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 68.82 61.07 4.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.145 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.574 ' HB2' HD23 ' A' ' 5' ' ' LEU . 1.1 t0 -88.22 149.55 23.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.863 HG11 ' HB3' ' A' ' 22' ' ' ALA . 49.3 t -98.71 -59.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -101.7 21.48 14.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 50.03 50.41 18.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.36 -53.09 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.04 -52.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.568 1.168 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.04 169.21 1.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 0.749 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.835 HG23 ' CG2' ' A' ' 9' ' ' VAL . 12.4 p -83.23 94.99 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.747 HD22 HD13 ' A' ' 59' ' ' ILE . 1.5 p30 -134.65 -179.63 5.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -45.5 -27.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.944 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -64.95 -40.74 95.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 16' ' ' ASN . 98.7 m-20 -92.52 21.55 5.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . -59.65 -41.01 89.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' ALA . 41.7 t -39.86 -47.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.863 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -80.13 -33.44 38.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.911 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.4 tp -59.44 -60.11 4.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -51.95 -32.79 34.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.47 ' HG2' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -78.68 -31.32 46.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.649 ' CD1' ' NE ' ' A' ' 46' ' ' ARG . 17.8 t80 -80.83 -28.79 36.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 23' ' ' LEU . 14.2 t -77.94 -43.98 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.97 0.02 57.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 30' ' ' SER . 1.9 tpt180 74.59 154.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.47 ' CB ' ' HG2' ' A' ' 25' ' ' ARG . 0.6 OUTLIER 163.97 158.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.052 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.81 59.06 0.51 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 1.6 tt -115.23 153.27 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.55 126.4 44.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.527 ' CG2' HG13 ' A' ' 9' ' ' VAL . 1.8 pt -140.36 176.7 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.371 1.044 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.65 67.01 2.34 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.65 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 5.1 t -68.15 -6.52 23.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.78 -75.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.504 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 2.8 p-10 -102.36 40.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.65 ' HB2' ' HA ' ' A' ' 36' ' ' THR . . . -76.71 -90.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 1.055 ' O ' HD13 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -79.22 163.01 25.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 1.055 HD13 ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -134.22 47.63 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.453 ' CG ' ' C ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -165.11 31.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.37 1.044 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 46.95 46.39 15.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.282 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -114.24 -36.45 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 130.14 -63.3 0.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.667 HH12 HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -145.62 -94.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.603 0.825 . . . . 0.0 110.26 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.686 HG12 HD13 ' A' ' 55' ' ' LEU . 26.7 m -134.57 96.51 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.408 1.067 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.14 -35.44 28.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.434 ' HA ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER 168.41 -31.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.2 m -78.07 -37.99 45.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.615 ' HB3' HG12 ' A' ' 47' ' ' VAL . 2.2 m-20 -80.13 -50.34 10.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 49' ' ' SER . 0.1 OUTLIER -38.65 -45.34 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.75 -58.29 14.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -44.22 93.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.797 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.811 HD22 ' O ' ' A' ' 15' ' ' VAL . 0.5 OUTLIER -60.99 -59.23 5.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.559 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -59.65 -1.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.584 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -91.77 -53.47 4.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 1.011 ' CE1' HG22 ' A' ' 59' ' ' ILE . 1.0 OUTLIER -91.67 -34.03 14.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 1.011 HG22 ' CE1' ' A' ' 58' ' ' TYR . 1.4 pp -58.58 -15.7 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -47.96 -56.27 8.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.496 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER 177.28 -25.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -63.73 -39.73 95.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.508 ' O ' ' O ' ' A' ' 62' ' ' GLU . 1.4 tp 40.2 96.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t0 170.83 -31.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.2 m -76.79 53.06 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 110.44 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.891 HD12 ' CE2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.524 ' C ' HD13 ' A' ' 5' ' ' LEU . 1.6 mttt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.736 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -137.89 167.18 22.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -150.31 100.31 2.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.97 47.51 2.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 35' ' ' ASN . 2.8 t0 -81.73 125.77 31.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 0.774 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.772 HG11 ' HB3' ' A' ' 22' ' ' ALA . 47.8 t -77.64 -60.23 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.449 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 4.4 p30 -104.38 30.08 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.6 t70 48.16 42.48 17.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -98.2 -54.52 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -160.26 -45.18 0.02 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.45 1.094 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.39 -170.9 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.66 ' HB ' HG23 ' A' ' 9' ' ' VAL . 5.9 p -108.15 104.02 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.439 ' OD1' ' CB ' ' A' ' 18' ' ' THR . 5.7 p30 -154.02 -171.31 3.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.613 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . 15.0 t -48.82 -23.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.955 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.439 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 45.5 m -67.55 -36.77 81.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.449 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.5 m-20 -111.16 22.16 15.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.613 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . -59.88 -22.67 62.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.39 -59.71 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.772 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -67.68 -23.27 65.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.927 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -66.73 -54.32 24.09 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -50.83 -42.91 58.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -69.46 -26.23 64.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.527 ' CD1' ' HD3' ' A' ' 46' ' ' ARG . 25.1 t80 -83.88 -35.98 23.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.927 HG23 ' O ' ' A' ' 23' ' ' LEU . 9.2 t -67.31 -43.79 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.361 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.22 -57.47 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.508 ' O ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -147.3 -82.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.319 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 2.2 p 158.02 51.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.975 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.53 -20.43 10.95 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.505 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 16.7 tt -71.23 168.68 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.94 122.81 45.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.57 ' CG2' HG13 ' A' ' 9' ' ' VAL . 11.4 pt -146.61 -179.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.706 ' ND2' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -80.88 43.34 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.508 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -38.72 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.412 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -40.77 -73.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 1.8 p-10 -109.86 44.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.706 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -93.87 -61.31 1.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.526 ' O ' HD23 ' A' ' 41' ' ' LEU . 8.1 t0 -64.19 155.6 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.258 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 40' ' ' ASP . 36.7 mt -154.44 24.34 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 109.378 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.42 ' OD1' ' OD2' ' A' ' 44' ' ' ASP . 23.7 p-10 -173.86 37.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 47.84 43.2 17.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' NH2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -118.1 -35.83 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.469 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 129.3 -64.67 0.6 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.771 ' HB2' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -148.5 -55.91 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.76 . . . . 0.0 110.27 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.703 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.6 t -156.92 107.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.489 ' ND2' HH22 ' A' ' 46' ' ' ARG . 0.3 OUTLIER -90.8 -49.18 6.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.8 p 179.24 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.5 m -84.12 -39.0 20.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 110.435 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.496 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -67.61 -28.5 67.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -52.19 -45.69 65.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -63.13 -62.15 5.71 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.539 HG23 ' HB2' ' A' ' 66' ' ' LEU . 2.5 mm -42.52 -46.28 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.913 ' O ' HG23 ' A' ' 59' ' ' ILE . 3.1 mm? -60.92 -61.49 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.459 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 3.8 tttt -63.34 -0.92 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 55' ' ' LEU . 2.7 mtt180 -90.42 -53.21 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.957 ' CE2' HD12 ' A' ' 66' ' ' LEU . 1.9 p90 -90.52 -27.81 18.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.923 HG22 ' CE1' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -74.97 -0.75 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 61' ' ' LYS . 13.3 tp -70.47 -52.96 18.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -177.59 -33.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -72.14 3.98 4.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.4 OUTLIER -34.42 131.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' A' ' 65' ' ' THR . 7.4 m-20 162.18 45.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.525 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 2.0 m 85.23 86.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.491 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.957 HD12 ' CE2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.791 ' C ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.791 HD23 ' C ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -169.38 -179.48 3.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.517 ' HE1' HD11 ' A' ' 41' ' ' LEU . 2.6 t80 -150.61 110.94 4.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.707 ' H ' ' ND2' ' A' ' 38' ' ' ASN . . . 39.04 56.72 2.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.486 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 4.7 t0 -58.37 152.97 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.748 HG11 ' HB3' ' A' ' 22' ' ' ALA . 88.2 t -91.19 -60.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.466 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 6.4 p30 -106.76 20.31 19.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 t70 50.8 54.46 11.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.07 -33.93 5.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.439 ' N ' ' OD2' ' A' ' 8' ' ' ASP . . . -172.37 -60.57 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.403 ' O ' ' OD2' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -156.5 -171.15 3.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.773 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.6 p -112.01 96.27 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -148.34 -172.28 4.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 11.3 t -45.37 -36.69 4.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 m -50.64 -40.39 53.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.466 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 83.2 m-20 -99.85 28.78 4.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.372 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 17' ' ' SER . . . -59.74 -37.91 80.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 20' ' ' ALA . 65.2 t -40.03 -60.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.748 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -66.15 -36.11 82.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.734 HD11 ' CG2' ' A' ' 47' ' ' VAL . 0.5 OUTLIER -55.62 -60.36 3.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.66 -41.88 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.2 -41.88 69.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 110.254 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.709 ' OH ' HG21 ' A' ' 36' ' ' THR . 26.5 t80 -65.42 -45.96 81.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 23' ' ' LEU . 22.0 t -61.39 -57.34 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.421 ' O ' HD23 ' A' ' 28' ' ' LEU . 3.0 tt -48.42 -39.89 24.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HD3' ' N ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -176.34 -179.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.407 ' N ' ' HD3' ' A' ' 29' ' ' ARG . 89.5 p -107.9 115.29 29.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.051 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -160.07 -50.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.934 HD12 HG23 ' A' ' 34' ' ' ILE . 1.3 pp -59.9 148.56 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.295 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.1 p -89.77 121.14 31.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.934 HG23 HD12 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -149.92 166.3 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -95.08 68.52 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.753 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 5.7 t -81.2 17.14 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 110.428 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -73.0 -45.97 54.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.707 ' ND2' ' H ' ' A' ' 7' ' ' GLY . 1.7 p-10 -120.45 16.46 12.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.753 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -83.88 -18.54 37.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.998 ' O ' HD13 ' A' ' 41' ' ' LEU . 1.5 t70 -113.28 141.38 47.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.259 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -140.97 20.68 2.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.416 ' OD1' ' OD1' ' A' ' 51' ' ' ASP . 0.0 OUTLIER -151.17 21.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 55.58 44.87 25.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.29 -32.36 6.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.48 -49.53 0.84 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.652 ' NH1' HD13 ' A' ' 34' ' ' ILE . 31.4 mmm-85 -145.43 -92.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 0.762 . . . . 0.0 110.323 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.734 ' CG2' HD11 ' A' ' 23' ' ' LEU . 5.7 m -152.73 95.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -71.48 -47.03 58.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.426 ' HA ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER 177.39 -36.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.4 m -78.4 -34.69 47.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.416 ' OD1' ' OD1' ' A' ' 42' ' ' ASN . 14.9 t70 -89.76 -21.57 22.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.763 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.43 -58.65 7.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.17 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -52.39 -62.28 5.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 111.045 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.58 HG22 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -46.57 -40.05 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.575 0.809 . . . . 0.0 109.264 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.848 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -65.99 -57.21 8.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.538 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -69.2 0.54 4.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -92.75 -53.91 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 1.198 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -80.72 -36.68 31.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 111.056 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.96 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.3 pp -64.72 -11.21 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.91 -42.25 97.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.597 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -161.58 -36.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.617 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -63.2 -1.21 0.95 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.743 HD13 ' HB2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -21.37 129.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.243 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.743 ' HB2' HD13 ' A' ' 63' ' ' ILE . 13.6 t0 92.3 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 62' ' ' GLU . 99.1 m -56.54 -67.17 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 1.198 HD12 ' CE2' ' A' ' 58' ' ' TYR . 4.8 tt . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.4 mtm . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.452 0.167 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.69 139.09 4.4 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.989 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.2 m -147.76 139.06 23.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 110.363 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -170.6 96.17 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.496 1.123 . . . . 0.0 109.24 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.88 HD12 ' HB2' ' A' ' 8' ' ' ASP . 2.5 pt? -167.49 166.97 14.03 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.841 ' CE1' HD22 ' A' ' 41' ' ' LEU . 54.4 t80 -148.5 101.86 3.27 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.515 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 55.97 45.88 85.64 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.518 1.136 . . . . 0.0 111.003 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.88 ' HB2' HD12 ' A' ' 5' ' ' LEU . 2.1 t0 -59.09 151.49 22.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.401 0.706 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.421 HG23 ' HA ' ' A' ' 15' ' ' VAL . 14.1 t -96.86 -56.99 4.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -110.09 23.7 13.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.06 . . . . 0.0 109.349 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 51.12 46.7 26.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.84 -46.3 4.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.549 1.156 . . . . 0.0 109.357 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -163.46 -51.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.436 ' CG ' ' OD1' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -172.8 -179.76 2.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 0.774 . . . . 0.0 109.275 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.727 ' O ' HD22 ' A' ' 55' ' ' LEU . 2.7 p -99.77 106.26 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.436 ' OD1' ' CG ' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -151.54 -169.52 3.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 109.286 179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.5 t -49.82 -22.44 1.45 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.991 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.3 m -67.74 -47.66 68.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -92.36 26.13 2.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.453 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -64.39 -37.88 89.05 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.408 ' C ' ' O ' ' A' ' 20' ' ' ALA . 0.0 OUTLIER -40.2 -53.64 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.242 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.544 ' HB1' HD13 ' A' ' 32' ' ' ILE . . . -73.6 -31.89 63.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.95 HD11 HG22 ' A' ' 47' ' ' VAL . 2.8 tt -53.78 -60.18 3.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.723 ' O ' HD13 ' A' ' 28' ' ' LEU . 64.1 tttt -51.71 -43.25 62.76 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.84 -26.52 66.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.312 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.576 ' CE1' ' HD2' ' A' ' 46' ' ' ARG . 37.1 t80 -82.8 -62.39 1.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 110.972 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 61.7 t -44.93 -35.07 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.723 HD13 ' O ' ' A' ' 24' ' ' LYS . 3.6 mp -69.17 -52.81 24.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.252 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.43 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -157.47 165.67 35.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.353 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.2 m -97.91 64.06 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 110.046 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.86 -49.27 1.1 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.544 HD13 ' HB1' ' A' ' 22' ' ' ALA . 1.7 pt -59.93 166.22 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.44 0.73 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -115.43 119.87 37.65 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.995 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.495 ' CG2' HD12 ' A' ' 32' ' ' ILE . 5.6 pt -139.33 163.63 25.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.423 1.077 . . . . 0.0 109.331 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.444 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 2.1 m-80 -69.99 61.51 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.458 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 0.7 OUTLIER -55.78 -17.47 6.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.371 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 36' ' ' THR . 2.8 m-20 -39.37 -74.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.515 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 1.9 p-10 -112.39 38.94 2.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.458 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -78.08 -55.47 5.26 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.429 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 5.4 t70 -86.81 145.33 26.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 109.317 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.841 HD22 ' CE1' ' A' ' 6' ' ' TYR . 4.9 mp -145.96 22.28 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.406 ' CG ' ' OD1' ' A' ' 51' ' ' ASP . 1.2 m120 -154.79 24.02 0.45 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.302 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 52.32 36.9 20.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.42 ' OD2' ' ND2' ' A' ' 48' ' ' ASN . 27.7 m-20 -114.32 -33.01 5.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.429 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 121.11 -52.27 0.75 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.554 1.158 . . . . 0.0 111.047 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.576 ' HD2' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -149.94 -93.59 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 110.271 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.95 HG22 HD11 ' A' ' 23' ' ' LEU . 16.6 m -141.65 79.57 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 49' ' ' SER . 9.9 p30 -61.11 -38.75 87.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.6 OUTLIER 165.42 -30.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.05 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.4 m -78.47 -40.4 35.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 110.432 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.803 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -79.95 -43.11 22.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.438 ' CA ' ' HB ' ' A' ' 47' ' ' VAL . 1.5 tt -39.16 -61.89 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -38.22 -74.22 0.12 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.486 1.116 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -43.57 -49.58 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.427 0.722 . . . . 0.0 109.246 -179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.875 HD13 HG12 ' A' ' 47' ' ' VAL . 0.6 OUTLIER -53.65 -61.5 2.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.474 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 11.4 ptmt -61.9 -8.24 4.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -91.47 -45.54 8.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 110.375 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 1.069 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -90.17 -39.03 13.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.492 1.12 . . . . 0.0 110.945 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.936 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.3 pp -59.49 -16.42 10.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.128 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.615 HD23 ' HE3' ' A' ' 61' ' ' LYS . 10.0 tp -54.54 -34.6 62.07 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.615 ' HE3' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -177.14 -37.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.503 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.8 mt-10 -51.87 -18.37 1.29 Allowed 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.583 1.177 . . . . 0.0 110.278 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.503 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.0 OUTLIER -32.83 100.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.284 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.427 ' N ' ' O ' ' A' ' 62' ' ' GLU . 4.4 t0 167.32 -31.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.6 t -134.15 -43.6 0.79 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.145 . . . . 0.0 110.41 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.069 HD12 ' CE2' ' A' ' 58' ' ' TYR . 1.0 OUTLIER 66.64 111.74 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -75.03 60.64 5.52 Favored 'Trans proline' 0 C--N 1.361 1.22 0 O-C-N 124.476 1.777 . . . . 0.0 110.984 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 69' ' ' LYS . 55.6 p90 -34.96 -45.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.553 ' N ' ' CD1' ' A' ' 68' ' ' TYR . 4.0 tptp 56.89 98.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.572 1.17 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.4 t30 -86.66 121.23 28.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.55 1.156 . . . . 0.0 110.994 179.973 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.7 mtp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.5 0.191 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.33 170.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.974 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -117.33 157.55 25.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.459 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -156.31 93.59 1.42 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.135 . . . . 0.0 109.32 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -162.84 136.63 6.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.371 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 38' ' ' ASN . 16.4 t80 -149.63 107.5 3.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 111.001 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.647 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 84.36 59.46 2.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.552 1.157 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.506 ' OD2' ' N ' ' A' ' 13' ' ' GLY . 0.8 OUTLIER -98.19 152.57 19.23 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.44 0.73 . . . . 0.0 109.324 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.55 HG23 ' CZ ' ' A' ' 46' ' ' ARG . 0.3 OUTLIER -96.11 -47.04 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 109.288 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.464 ' N ' ' CG1' ' A' ' 9' ' ' VAL . 0.8 OUTLIER -111.89 16.6 20.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 34.5 t70 49.11 60.45 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.592 1.182 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.478 ' CG ' ' N ' ' A' ' 13' ' ' GLY . 0.6 OUTLIER -120.1 -49.46 2.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.275 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.506 ' N ' ' OD2' ' A' ' 8' ' ' ASP . . . -150.55 -55.95 0.01 OUTLIER Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.612 ' CE ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER 179.55 159.01 0.69 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.421 0.718 . . . . 0.0 109.291 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.647 HG12 ' O ' ' A' ' 7' ' ' GLY . 14.1 p -75.79 111.91 12.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -145.06 -170.8 3.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.385 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 t -49.91 -22.28 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.969 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 34.4 m -77.13 -37.03 54.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 110.453 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.41 ' OD2' ' HB ' ' A' ' 9' ' ' VAL . 6.1 m-20 -83.99 7.55 18.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.377 1.048 . . . . 0.0 109.345 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.07 -20.78 62.99 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.433 1.083 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 20.0 t -68.28 -58.89 4.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 109.36 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.513 ' O ' HG21 ' A' ' 32' ' ' ILE . . . -63.44 -33.67 76.07 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.347 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.993 HD13 HG22 ' A' ' 47' ' ' VAL . 0.2 OUTLIER -68.38 -56.97 6.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.249 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.16 -26.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.598 ' HB3' HD12 ' A' ' 32' ' ' ILE . 1.6 mpt_? -88.31 -38.44 15.17 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 110.27 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.787 ' HB2' HG22 ' A' ' 32' ' ' ILE . 33.1 t80 -70.62 -22.38 62.54 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.532 1.145 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 23' ' ' LEU . 24.6 t -90.38 -42.44 14.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.501 1.126 . . . . 0.0 109.325 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.64 -48.86 15.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.602 1.189 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 25' ' ' ARG . 3.4 tmt_? -83.48 160.07 21.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.296 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.53 -74.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.554 1.159 . . . . 0.0 110.04 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -158.83 86.45 0.12 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.787 HG22 ' HB2' ' A' ' 26' ' ' TYR . 1.7 tt -59.51 153.35 4.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.494 0.761 . . . . 0.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.459 ' O ' HG23 ' A' ' 34' ' ' ILE . 3.2 m -60.78 116.11 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 1.163 . . . . 0.0 110.03 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.819 HD12 ' NH1' ' A' ' 46' ' ' ARG . 6.0 pt -153.25 -179.02 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.408 1.068 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.44 56.14 0.68 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.753 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 5.7 t -59.66 -14.42 13.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 0.0 110.388 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' THR . 3.5 m-20 -39.24 -63.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.582 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -120.78 45.96 2.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.336 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.753 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -107.34 -56.55 2.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -72.55 121.09 19.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.432 ' CD2' ' OH ' ' A' ' 6' ' ' TYR . 0.4 OUTLIER -126.54 6.99 6.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.142 . . . . 0.0 109.32 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.405 ' OD1' ' OD1' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -138.66 14.82 2.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 53.86 36.15 23.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.521 1.138 . . . . 0.0 110.28 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.41 ' OD2' ' OD1' ' A' ' 51' ' ' ASP . 2.2 p30 -112.88 -35.33 5.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.412 ' C ' ' CG ' ' A' ' 46' ' ' ARG . . . 147.78 -72.56 0.31 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.819 ' NH1' HD12 ' A' ' 34' ' ' ILE . 2.2 mtp85 -154.39 -70.87 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 110.328 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.993 HG22 HD13 ' A' ' 23' ' ' LEU . 16.5 m -139.25 71.58 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.42 1.075 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.9 OUTLIER -59.15 -40.63 86.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.431 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 1.4 m 164.3 -31.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.004 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.4 m -85.89 -26.03 25.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.442 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -86.08 -40.24 15.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -38.53 -46.2 1.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.463 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -59.28 -80.21 0.09 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.479 HG22 ' CD2' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -40.16 -39.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.441 0.73 . . . . 0.0 109.379 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.796 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -60.75 -60.38 3.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.365 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.505 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -68.89 -5.48 21.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.251 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -91.86 -55.92 3.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.56 1.162 . . . . 0.0 110.303 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 1.157 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -71.06 -31.9 68.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.999 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.864 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.5 pp -76.3 -1.87 3.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 tp -69.55 -33.2 72.44 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.082 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -175.81 -38.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.473 ' O ' ' C ' ' A' ' 63' ' ' ILE . 4.2 mt-10 -53.95 -17.14 2.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.471 1.107 . . . . 0.0 110.322 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.756 HD12 ' HE1' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -34.55 109.48 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.333 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.525 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER 153.79 -23.07 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.26 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -138.19 -48.91 0.55 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 110.364 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.157 HD12 ' CE2' ' A' ' 58' ' ' TYR . 7.1 tt 67.42 98.01 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.98 62.63 5.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 110.957 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.574 ' N ' HD23 ' A' ' 66' ' ' LEU . 17.2 p90 -40.74 157.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.554 1.159 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -86.59 137.61 32.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.085 . . . . 0.0 109.376 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -71.4 101.38 2.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 109.252 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.071 0 O-C-N 124.454 1.096 . . . . 0.0 111.0 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.6 ptt? . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.485 0.183 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.52 132.8 35.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.965 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 70.3 p -126.93 138.69 53.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.457 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.03 104.69 4.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.647 HD12 ' OD2' ' A' ' 8' ' ' ASP . 1.0 OUTLIER -170.45 153.26 4.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.332 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.739 ' OH ' HD22 ' A' ' 41' ' ' LEU . 50.1 t80 -150.12 101.98 3.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 111.046 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.726 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 95.92 52.42 1.65 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.093 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.647 ' OD2' HD12 ' A' ' 5' ' ' LEU . 1.9 t0 -98.43 150.22 21.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 0.791 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.933 ' CG2' HG23 ' A' ' 15' ' ' VAL . 66.2 t -100.17 -59.74 3.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.403 1.064 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -104.04 22.04 15.35 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.438 1.087 . . . . 0.0 109.391 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.625 ' OD1' HD11 ' A' ' 5' ' ' LEU . 9.6 t0 49.9 45.94 24.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -102.6 -45.55 5.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -162.8 -52.92 0.02 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.459 ' CD ' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -173.76 170.45 3.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 109.249 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.933 HG23 ' CG2' ' A' ' 9' ' ' VAL . 13.7 p -91.26 110.82 22.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.459 ' ND2' ' CD ' ' A' ' 14' ' ' LYS . 0.9 OUTLIER -152.96 -172.47 4.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.261 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.8 t -45.52 -25.69 0.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.99 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.41 ' N ' ' C ' ' A' ' 16' ' ' ASN . 75.8 m -69.06 -43.61 74.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 0.0 110.451 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.438 ' HB3' HG21 ' A' ' 9' ' ' VAL . 87.4 m-20 -92.23 22.19 4.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.72 84.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.419 1.074 . . . . 0.0 109.267 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 63.9 t -46.82 -60.17 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.747 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -65.89 -56.44 11.8 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.281 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.971 HD12 ' NH1' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -40.74 -57.91 1.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.34 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.99 -44.47 20.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.505 ' O ' ' CD ' ' A' ' 29' ' ' ARG . 5.3 mtt180 -69.3 -28.1 65.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.299 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.708 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 5.0 t80 -80.79 -38.55 28.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.521 HG23 HH22 ' A' ' 46' ' ' ARG . 0.3 OUTLIER -78.11 -36.6 21.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.107 . . . . 0.0 109.275 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.526 ' O ' HD23 ' A' ' 28' ' ' LEU . 5.3 tt -75.82 -40.92 54.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.505 ' CD ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -150.7 -170.44 3.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.155 . . . . 0.0 110.283 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.3 p -132.09 58.42 1.74 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.012 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -100.91 -56.38 0.9 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.475 1.11 . . . . 0.0 110.968 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.658 ' CD1' HG23 ' A' ' 34' ' ' ILE . 2.5 pp -59.74 178.59 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 0.785 . . . . 0.0 109.342 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.8 m -136.83 120.99 17.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 110.03 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.669 HG21 HG13 ' A' ' 9' ' ' VAL . 5.4 pt -129.99 168.99 21.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.444 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 2.2 m-80 -69.87 61.95 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.376 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 37' ' ' ASP . 0.0 OUTLIER -58.01 -24.87 60.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.7 OUTLIER -37.35 -68.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.12 . . . . 0.0 109.298 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.46 ' CG ' ' O ' ' A' ' 38' ' ' ASN . 9.7 t30 -116.54 66.52 0.72 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.258 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.438 ' HB1' ' HG3' ' A' ' 46' ' ' ARG . . . -116.49 -67.71 0.97 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.288 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.962 ' O ' HD23 ' A' ' 41' ' ' LEU . 47.4 t0 -59.64 149.94 28.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.962 HD23 ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -148.45 -45.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.308 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.426 ' CG ' ' OD1' ' A' ' 51' ' ' ASP . 2.8 m120 -85.11 3.98 36.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.565 1.166 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 75.01 36.21 0.55 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 110.362 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.415 ' OD1' ' OD1' ' A' ' 51' ' ' ASP . 5.2 p-10 -115.49 -33.8 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.331 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 140.59 -66.35 0.5 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.457 1.098 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.971 ' NH1' HD12 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -145.0 -89.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.491 0.759 . . . . 0.0 110.297 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.734 ' CG2' HD13 ' A' ' 23' ' ' LEU . 3.6 m -135.0 72.7 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.146 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -59.5 -40.83 88.33 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.157 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.66 ' HA ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER 166.31 -30.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.974 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.9 m -82.87 -36.86 25.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.431 1.082 . . . . 0.0 110.424 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.426 ' OD1' ' CG ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -74.72 -42.45 58.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.255 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.767 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.2 OUTLIER -49.31 -44.46 44.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.82 -26.35 17.68 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.497 1.123 . . . . 0.0 110.893 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.471 HG22 HD22 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -90.19 -37.49 9.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.502 0.766 . . . . 0.0 109.324 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.794 HD13 ' CE2' ' A' ' 58' ' ' TYR . 1.6 mm? -61.34 -61.26 2.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.495 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -60.95 -6.31 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.411 1.069 . . . . 0.0 109.345 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' H ' ' C ' ' A' ' 55' ' ' LEU . 3.9 ttt180 -89.49 -49.54 6.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 110.241 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.832 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -91.39 -42.71 10.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.138 . . . . 0.0 111.01 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.832 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.4 pp -50.25 -22.25 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.495 HD23 ' O ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -45.79 -60.33 2.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -179.36 38.56 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -131.7 5.85 4.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.275 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.561 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.1 OUTLIER -41.01 156.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.561 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 1.6 t0 151.51 -63.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.464 ' O ' ' O ' ' A' ' 66' ' ' LEU . 1.1 t -134.73 5.76 3.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.443 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.92 ' O ' HD23 ' A' ' 66' ' ' LEU . 0.2 OUTLIER 44.84 98.07 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.401 1.063 . . . . 0.0 109.254 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.448 ' O ' ' C ' ' A' ' 68' ' ' TYR . 18.4 Cg_endo -75.04 63.07 6.0 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.484 1.781 . . . . 0.0 110.994 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.448 ' C ' ' O ' ' A' ' 67' ' ' PRO . 8.2 p90 -34.01 -47.56 0.27 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.432 ' N ' ' CD2' ' A' ' 68' ' ' TYR . 14.6 tttp 70.92 -75.95 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 176.76 162.28 0.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 O-C-N 124.534 1.146 . . . . 0.0 111.045 179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.4 mtt . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.497 0.189 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.04 54.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.051 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.442 HG23 HD22 ' A' ' 5' ' ' LEU . 9.2 t -171.0 165.0 7.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.397 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -126.74 123.14 36.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.545 HD23 ' N ' ' A' ' 5' ' ' LEU . 1.2 pt? -174.09 147.84 1.29 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 109.267 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.607 ' CE1' ' OD1' ' A' ' 38' ' ' ASN . 45.7 t80 -150.35 116.89 5.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.444 1.09 . . . . 0.0 110.987 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.716 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 75.66 59.27 3.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.463 1.102 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -90.28 149.98 22.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.921 ' CG2' HG23 ' A' ' 15' ' ' VAL . 74.7 t -99.92 -59.61 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.444 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 4.5 p30 -105.43 27.41 8.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 50.04 45.84 25.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.423 ' HB3' 'CA ' ' A' ' 72' ' ' ' CA' . 4.8 t70 -100.58 -54.64 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.435 1.085 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -159.67 -42.83 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.28 -172.39 0.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 109.261 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.921 HG23 ' CG2' ' A' ' 9' ' ' VAL . 11.1 p -111.39 103.36 15.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.691 ' CG ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -145.35 -160.51 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.431 1.082 . . . . 0.0 109.218 -179.955 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.9 t -60.11 -15.13 20.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.982 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 m -75.34 -42.12 55.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.467 1.104 . . . . 0.0 110.408 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.444 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.2 m-20 -101.8 26.3 7.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.276 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.31 -23.86 65.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.419 1.074 . . . . 0.0 109.251 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 9.2 t -55.52 -60.45 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.547 1.154 . . . . 0.0 109.221 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.584 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -68.28 -27.34 66.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.492 1.12 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.82 HD21 ' HB2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -60.69 -60.22 4.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 109.345 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -49.13 -40.07 31.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -29.81 70.9 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.569 1.168 . . . . 0.0 110.24 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.771 ' OH ' HG21 ' A' ' 36' ' ' THR . 1.8 t80 -78.89 -50.18 11.64 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 111.07 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 23' ' ' LEU . 11.9 t -50.66 -48.94 26.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.552 1.157 . . . . 0.0 109.361 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.61 -39.71 81.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.395 1.059 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.434 ' C ' ' CD ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 173.63 172.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.284 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.1 m -86.79 108.05 18.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.134 . . . . 0.0 110.001 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -128.82 -66.13 0.12 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.558 HD13 ' H ' ' A' ' 32' ' ' ILE . 0.2 OUTLIER -73.46 177.98 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.307 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.7 p -115.03 119.97 38.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.033 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.733 HG21 HG13 ' A' ' 9' ' ' VAL . 6.7 pt -138.08 174.22 11.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -93.9 49.31 1.33 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.415 1.072 . . . . 0.0 109.246 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.779 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -44.9 -25.18 0.28 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.462 1.101 . . . . 0.0 110.37 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -53.86 -75.17 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.526 1.141 . . . . 0.0 109.264 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.607 ' OD1' ' CE1' ' A' ' 6' ' ' TYR . 6.6 t-20 -63.84 -25.08 68.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.324 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.779 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -64.41 -55.35 21.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.778 ' O ' HD23 ' A' ' 41' ' ' LEU . 11.3 t0 -64.75 135.72 56.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.778 HD23 ' O ' ' A' ' 40' ' ' ASP . 34.4 mt -143.59 14.74 1.78 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.456 1.098 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.443 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 0.3 OUTLIER -152.81 20.79 0.6 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.433 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 38.1 mt-10 61.82 49.01 5.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.428 ' CB ' ' OD1' ' A' ' 48' ' ' ASN . 0.0 OUTLIER -124.34 -37.38 2.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.311 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.435 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 135.49 -60.56 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.418 1.074 . . . . 0.0 111.03 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.82 ' HB2' HD21 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -140.51 -73.06 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.528 0.781 . . . . 0.0 110.293 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.438 HG13 ' C ' ' A' ' 46' ' ' ARG . 4.8 m -153.52 146.9 14.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.428 ' OD1' ' CB ' ' A' ' 44' ' ' ASP . 33.5 m120 -120.43 -61.27 1.6 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.279 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.723 ' HA ' HD21 ' A' ' 52' ' ' LEU . 14.5 p -159.23 -40.66 0.06 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.483 1.115 . . . . 0.0 110.08 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.3 m -85.31 -27.83 25.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.449 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.649 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.9 OUTLIER -70.9 -60.4 2.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.577 1.173 . . . . 0.0 109.337 179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.723 HD21 ' HA ' ' A' ' 49' ' ' SER . 3.1 pp -41.93 -46.42 4.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.65 ' N ' HD12 ' A' ' 52' ' ' LEU . . . -55.0 -75.6 0.23 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -43.27 -45.56 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.506 0.768 . . . . 0.0 109.3 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.865 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -58.06 -55.81 30.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.55 ' O ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -64.0 -6.53 6.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.02 -45.35 8.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.953 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -88.72 -30.79 18.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.953 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -74.59 -1.78 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.297 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -67.58 -50.14 59.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.15 . . . . 0.0 109.243 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' CD ' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER 178.89 -32.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 109.226 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -67.45 -1.53 4.98 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.445 1.09 . . . . 0.0 110.243 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.506 HD12 ' HE1' ' A' ' 58' ' ' TYR . 6.8 tt -35.02 135.54 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.665 ' O ' HG22 ' A' ' 65' ' ' THR . 6.2 m-20 176.65 64.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 64' ' ' ASP . 0.6 OUTLIER 83.52 7.72 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.437 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.924 HD12 ' CE2' ' A' ' 58' ' ' TYR . 3.8 tt 58.45 110.94 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.355 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.4 ' O ' ' C ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -74.98 57.81 4.67 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.47 1.774 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.509 ' H ' HD23 ' A' ' 66' ' ' LEU . 28.6 p90 -37.54 143.74 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -132.03 126.64 34.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.333 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -97.96 141.85 30.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.555 1.159 . . . . 0.0 109.251 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.522 1.139 . . . . 0.0 110.969 179.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ' CA' . . . . . 0.423 'CA ' ' HB3' ' A' ' 12' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.8 mtt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.444 0.164 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -140.98 165.47 27.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.976 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 t -143.62 127.46 17.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.377 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -154.83 86.8 1.13 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.546 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -174.72 149.52 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -148.43 136.79 21.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 110.972 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.465 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 58.78 49.44 77.74 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.135 . . . . 0.0 111.01 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.454 ' O ' ' CG ' ' A' ' 35' ' ' ASN . 1.8 t0 -85.15 123.4 30.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 0.768 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.805 HG13 ' CG2' ' A' ' 34' ' ' ILE . 3.3 t -76.56 -61.2 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -103.13 29.3 5.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 48.04 42.5 16.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -96.42 -52.21 4.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.263 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.443 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -163.69 -47.13 0.02 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.564 1.165 . . . . 0.0 110.901 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.657 ' HE2' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -175.91 176.98 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 0.778 . . . . 0.0 109.346 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.718 HG21 ' HG2' ' A' ' 46' ' ' ARG . 7.2 p -94.48 108.06 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.447 ' ND2' ' CD ' ' A' ' 14' ' ' LYS . 1.6 p30 -148.19 -172.27 4.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.8 t -50.12 -22.24 1.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.011 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.402 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 99.1 m -70.23 -44.58 68.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.388 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 14' ' ' LYS . 89.4 m-20 -96.6 24.63 5.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.316 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 21' ' ' VAL . . . -65.23 -41.48 94.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 20' ' ' ALA . 2.8 t -39.62 -61.14 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.543 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -63.03 -41.38 99.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.863 HD11 HG22 ' A' ' 47' ' ' VAL . 2.1 tt -50.39 -60.28 3.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.374 1.046 . . . . 0.0 109.325 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.6 tttt -42.15 -47.37 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 109.305 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -41.33 97.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.378 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.441 ' CD2' ' HD3' ' A' ' 46' ' ' ARG . 19.7 t80 -58.28 -54.22 49.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.029 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.422 ' H ' HG23 ' A' ' 27' ' ' VAL . 3.6 t -60.41 -45.77 96.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.287 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 tt -56.09 -47.27 78.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.9 -176.37 3.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.246 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.45 81.3 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.06 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.94 -65.29 0.35 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.529 ' C ' HD12 ' A' ' 32' ' ' ILE . 2.7 pp -59.37 172.06 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 0.793 . . . . 0.0 109.294 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -121.76 141.31 51.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.03 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.805 ' CG2' HG13 ' A' ' 9' ' ' VAL . 1.5 pt -150.54 178.39 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.553 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -81.38 43.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.651 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -39.38 -29.17 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 0.0 110.326 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.441 ' N ' ' C ' ' A' ' 35' ' ' ASN . 0.5 OUTLIER -43.38 -75.0 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -100.4 42.15 1.13 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.651 ' HB2' ' HA ' ' A' ' 36' ' ' THR . . . -74.66 -97.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.3 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.607 ' O ' HD13 ' A' ' 41' ' ' LEU . 4.0 t0 -77.83 -175.65 4.06 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.607 HD13 ' O ' ' A' ' 40' ' ' ASP . 2.5 mm? -128.68 -47.21 1.27 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 5.2 m120 -61.52 -16.94 52.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.426 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 6.7 tt0 80.58 49.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -114.4 -32.82 5.8 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.142 . . . . 0.0 109.303 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 155.06 -66.99 0.31 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.518 1.136 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.718 ' HG2' HG21 ' A' ' 15' ' ' VAL . 6.9 mtp180 -152.92 -85.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 0.799 . . . . 0.0 110.356 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.863 HG22 HD11 ' A' ' 23' ' ' LEU . 15.4 m -135.79 75.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.505 ' O ' ' CB ' ' A' ' 49' ' ' SER . 15.2 p30 -60.24 -31.29 70.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.467 1.104 . . . . 0.0 109.28 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 158.75 -26.06 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.577 1.173 . . . . 0.0 110.001 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 18.0 m -80.67 -35.62 33.5 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.677 ' HB3' HD23 ' A' ' 55' ' ' LEU . 4.3 m-20 -89.84 -24.61 21.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -40.33 -60.67 1.04 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.556 1.16 . . . . 0.0 109.318 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -62.34 -49.32 75.31 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.485 HD11 ' CB ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER -51.4 -41.58 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 0.749 . . . . 0.0 109.273 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.78 ' O ' HG23 ' A' ' 59' ' ' ILE . 3.2 mm? -65.28 -61.9 1.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.09 . . . . 0.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.408 ' CG ' ' HA2' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -61.98 -7.83 4.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.33 -180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.475 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.3 OUTLIER -89.51 -58.31 2.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 110.335 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.717 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -74.85 -24.19 58.55 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.964 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.78 HG23 ' O ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -90.14 -8.29 10.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.461 ' HB3' ' CD ' ' A' ' 61' ' ' LYS . 0.5 OUTLIER -56.76 -33.62 66.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 109.313 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.461 ' CD ' ' HB3' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -177.41 -35.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.556 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -60.98 -7.9 2.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.571 1.169 . . . . 0.0 110.277 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.556 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -27.82 109.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.541 1.15 . . . . 0.0 109.224 179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.436 ' N ' HD12 ' A' ' 63' ' ' ILE . 0.1 OUTLIER 161.42 -27.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.494 HG23 ' HD3' ' A' ' 67' ' ' PRO . 9.6 t -162.12 133.99 5.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.588 ' HG ' ' CD2' ' A' ' 58' ' ' TYR . 0.2 OUTLIER -125.45 71.12 64.85 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.494 ' HD3' HG23 ' A' ' 65' ' ' THR . 18.4 Cg_endo -74.99 -28.96 8.73 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.485 ' CB ' HD11 ' A' ' 54' ' ' ILE . 8.5 m-85 -36.34 127.82 0.77 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.15 118.94 19.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 60.25 91.97 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.234 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.475 1.109 . . . . 0.0 110.982 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.8 mtt . . . . . 0 N--CA 1.452 -0.346 0 CA-C-O 120.531 0.205 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.54 91.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.054 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.4 t -164.39 131.21 3.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.381 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.4 mptt -120.68 90.17 3.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mp -118.77 148.14 43.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.112 . . . . 0.0 109.246 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.668 ' CE2' HD22 ' A' ' 41' ' ' LEU . 62.0 t80 -116.96 96.54 5.51 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.502 ' HA3' ' C ' ' A' ' 38' ' ' ASN . . . 30.04 55.74 0.22 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.483 1.115 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.5 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 1.0 OUTLIER -56.39 150.97 13.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 0.752 . . . . 0.0 109.234 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.949 HG23 HG23 ' A' ' 15' ' ' VAL . 2.0 t -79.43 -59.51 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.329 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.403 ' OD1' ' OD2' ' A' ' 19' ' ' ASP . 6.0 p30 -105.52 17.64 23.53 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.471 1.107 . . . . 0.0 109.249 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.484 ' HA ' ' CB ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER 48.64 54.37 10.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.51 ' CG ' ' N ' ' A' ' 13' ' ' GLY . 0.2 OUTLIER -120.69 -50.49 2.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.51 ' N ' ' CG ' ' A' ' 12' ' ' ASP . . . -138.26 -62.31 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.43 164.26 3.11 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.504 0.767 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.949 HG23 HG23 ' A' ' 9' ' ' VAL . 7.1 p -80.77 90.96 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.644 ' ND2' HD13 ' A' ' 59' ' ' ILE . 16.0 p-10 -147.0 -174.25 4.45 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 t -46.62 -39.38 11.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 110.017 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -54.01 -25.37 20.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.417 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' OD2' ' OD1' ' A' ' 10' ' ' ASN . 1.4 m-20 -110.48 21.75 16.27 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 24' ' ' LYS . . . -59.93 -20.52 57.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.093 . . . . 0.0 109.313 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.5 t -58.13 -59.42 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.223 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.89 ' HB3' ' CG1' ' A' ' 9' ' ' VAL . . . -69.43 -50.88 41.6 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.697 HD22 HG13 ' A' ' 47' ' ' VAL . 3.8 tp -47.58 -56.46 7.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.406 1.066 . . . . 0.0 109.305 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.426 ' CB ' ' O ' ' A' ' 20' ' ' ALA . 13.8 ttpt -43.8 -46.9 7.97 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.478 1.111 . . . . 0.0 109.372 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.58 -34.78 78.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.658 ' CE1' ' NE ' ' A' ' 46' ' ' ARG . 8.3 t80 -71.26 -42.67 68.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.588 HG22 HH11 ' A' ' 46' ' ' ARG . 47.0 t -67.38 -38.52 80.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.549 1.155 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.0 mt -65.59 -40.54 92.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.551 1.157 . . . . 0.0 109.321 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -165.43 161.14 18.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.281 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.68 73.23 6.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.068 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.18 -54.82 0.23 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.461 1.101 . . . . 0.0 111.033 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.559 HD13 ' N ' ' A' ' 33' ' ' SER . 0.0 OUTLIER -60.1 154.67 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.522 0.778 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.559 ' N ' HD13 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -107.68 126.97 53.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.145 . . . . 0.0 110.071 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.569 HD11 ' HG2' ' A' ' 46' ' ' ARG . 9.1 pt -139.99 169.61 16.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.227 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 13.1 m-20 -87.33 47.37 1.49 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.764 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 14.8 t -62.82 -8.65 7.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 110.396 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.24 -45.32 93.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.502 ' C ' ' HA3' ' A' ' 7' ' ' GLY . 0.2 OUTLIER -121.1 34.22 5.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.445 1.09 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.764 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -104.66 -73.95 0.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.7 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -68.53 126.74 30.59 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.587 1.18 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.7 HD12 ' O ' ' A' ' 40' ' ' ASP . 4.7 mp -124.53 15.64 8.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 109.387 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.456 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -124.77 0.39 8.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.303 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.512 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 2.8 tt0 68.96 46.29 0.86 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.133 . . . . 0.0 110.278 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.32 -36.84 4.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.437 ' HA3' ' NE ' ' A' ' 46' ' ' ARG . . . 148.29 -72.62 0.3 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.55 1.156 . . . . 0.0 110.982 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.658 ' NE ' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -146.14 -63.55 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 0.773 . . . . 0.0 110.299 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.697 HG13 HD22 ' A' ' 23' ' ' LEU . 0.2 OUTLIER -162.97 92.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 109.291 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -79.53 -46.98 16.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.57 1.169 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 81.9 p 179.43 -36.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.952 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.1 m -67.71 -46.76 71.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.774 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.2 m-20 -65.65 -46.42 79.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.675 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -44.3 -59.76 2.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.534 1.146 . . . . 0.0 109.252 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -41.63 -75.17 0.14 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.539 1.149 . . . . 0.0 111.03 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -43.21 -47.06 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.481 0.754 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.774 HD12 ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -52.4 -60.2 3.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.296 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.646 ' O ' HD13 ' A' ' 60' ' ' LEU . 10.1 tttt -57.74 -10.48 1.65 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.246 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.431 ' N ' ' C ' ' A' ' 55' ' ' LEU . 0.6 OUTLIER -90.04 -46.48 8.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 110.275 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 1.158 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -90.17 -39.67 12.68 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.466 1.104 . . . . 0.0 110.961 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.846 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.3 pp -59.85 -21.85 22.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.407 1.067 . . . . 0.0 109.24 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.646 HD13 ' O ' ' A' ' 56' ' ' LYS . 0.9 OUTLIER -49.26 -54.52 16.42 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.348 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -174.4 34.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.9 mt-10 -121.61 -6.74 9.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 1.154 . . . . 0.0 110.256 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.502 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 1.9 tp -40.19 116.67 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 5.9 m-20 156.35 -25.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.335 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -143.02 -46.02 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 110.516 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.158 HD12 ' CE2' ' A' ' 58' ' ' TYR . 1.0 OUTLIER 67.01 106.62 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.908 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 68' ' ' TYR . 18.1 Cg_endo -74.97 62.68 5.88 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.491 1.785 . . . . 0.0 110.959 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.439 ' C ' ' O ' ' A' ' 67' ' ' PRO . 18.2 p90 -34.48 131.79 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.32 137.07 48.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -110.11 101.74 10.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.134 . . . . 0.0 111.035 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 mtt . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.508 0.194 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -179.34 149.01 0.38 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.2 t -156.31 117.99 3.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.469 1.106 . . . . 0.0 110.386 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -175.81 83.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.665 HD12 ' OD2' ' A' ' 8' ' ' ASP . 2.3 pt? -167.17 138.0 3.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -136.34 128.29 29.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 110.962 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.673 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 64.2 57.15 14.32 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.453 1.095 . . . . 0.0 110.906 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.665 ' OD2' HD12 ' A' ' 5' ' ' LEU . 3.8 t0 -91.86 145.54 24.48 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.423 0.72 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.656 ' CG2' HG23 ' A' ' 15' ' ' VAL . 1.4 t -94.33 -56.37 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.155 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -102.2 17.6 22.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.259 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 22.8 t70 49.35 48.43 21.16 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.508 1.13 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -111.1 -47.39 3.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -150.73 -57.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.399 1.062 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.79 160.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 0.741 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.969 ' O ' HD22 ' A' ' 55' ' ' LEU . 10.1 p -77.72 112.97 16.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.334 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.457 ' O ' ' N ' ' A' ' 19' ' ' ASP . 7.3 p-10 -151.62 -174.0 4.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.45 1.094 . . . . 0.0 109.369 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -48.45 -23.92 1.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.999 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.7 m -73.28 -31.56 64.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.386 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 16' ' ' ASN . 0.6 OUTLIER -102.04 16.95 24.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.438 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -59.43 -41.18 88.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.254 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 20' ' ' ALA . 95.7 t -39.74 -60.41 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.518 ' HA ' ' CD1' ' A' ' 32' ' ' ILE . . . -67.89 -29.86 69.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.768 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.6 tp -58.57 -60.25 4.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -45.74 -45.14 14.31 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 6.5 mtp180 -62.87 -34.39 77.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.651 ' CD1' ' NE ' ' A' ' 46' ' ' ARG . 10.9 t80 -80.05 -32.29 39.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 110.992 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.768 HG23 ' O ' ' A' ' 23' ' ' LEU . 21.8 t -71.47 -49.73 45.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.96 -41.89 64.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.568 1.168 . . . . 0.0 109.345 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.86 172.25 4.87 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 110.279 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.75 95.13 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.561 1.163 . . . . 0.0 110.032 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.64 -44.1 0.04 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.468 1.105 . . . . 0.0 111.015 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.518 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 19.3 tt -59.52 163.72 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.527 0.781 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.74 124.93 53.37 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.512 1.133 . . . . 0.0 110.029 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.6 pt -150.01 158.28 5.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.495 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 0.2 OUTLIER -81.73 55.59 2.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.145 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 t -68.29 -8.04 36.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -40.02 -59.07 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.365 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 7' ' ' GLY . 3.2 p-10 -115.96 63.14 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.295 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.462 ' HA ' ' CA ' ' A' ' 7' ' ' GLY . . . -122.79 -84.82 0.66 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.23 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.556 ' O ' HD12 ' A' ' 41' ' ' LEU . 5.3 t70 -41.42 133.53 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.556 HD12 ' O ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -139.26 13.82 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.265 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.464 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 0.3 OUTLIER -143.96 15.65 1.73 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.307 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 34.2 mt-10 62.78 50.49 3.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.328 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.426 ' OD2' ' HB2' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -125.58 -36.51 2.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.448 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 127.8 -58.04 0.7 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.717 HH12 HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -145.48 -88.78 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 0.748 . . . . 0.0 110.314 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.76 ' CG1' HD13 ' A' ' 55' ' ' LEU . 27.4 m -139.11 102.22 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.96 -39.83 33.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.61 -36.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -81.48 -60.72 2.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.38 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.724 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -43.65 -53.91 5.39 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.1 OUTLIER -39.54 -47.45 1.9 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -57.71 -53.14 47.55 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 111.056 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.585 HD12 ' CG ' ' A' ' 68' ' ' TYR . 10.9 mm -58.33 -44.98 89.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.445 0.732 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.969 HD22 ' O ' ' A' ' 15' ' ' VAL . 1.1 mp -56.96 -61.49 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.762 ' O ' HD13 ' A' ' 60' ' ' LEU . 0.6 OUTLIER -59.87 -8.4 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.268 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.431 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -91.42 -50.79 5.6 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.377 1.048 . . . . 0.0 110.293 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 1.032 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -86.75 -25.51 24.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.105 . . . . 0.0 110.98 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.939 HG22 ' CE1' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -81.42 -14.77 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.762 HD13 ' O ' ' A' ' 56' ' ' LYS . 5.4 tp -49.99 -39.72 42.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.699 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -179.28 -34.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.442 1.089 . . . . 0.0 109.363 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.653 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.3 tt0 -55.46 -13.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.345 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.699 HG22 ' O ' ' A' ' 61' ' ' LYS . 0.9 OUTLIER -16.0 110.61 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 109.35 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.445 ' N ' HD12 ' A' ' 63' ' ' ILE . 6.9 p-10 -176.81 -38.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.568 1.168 . . . . 0.0 109.296 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.898 HG23 ' HD3' ' A' ' 67' ' ' PRO . 15.4 t -170.32 157.37 6.13 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.404 1.065 . . . . 0.0 110.396 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.032 HD12 ' CE2' ' A' ' 58' ' ' TYR . 6.7 tt -126.26 70.49 69.42 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.898 ' HD3' HG23 ' A' ' 65' ' ' THR . 18.1 Cg_endo -75.02 -25.05 12.19 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.444 1.76 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.585 ' CG ' HD12 ' A' ' 54' ' ' ILE . 42.5 m-85 -39.08 137.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.19 142.07 14.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 109.229 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.6 p30 177.46 164.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 O-C-N 124.431 1.082 . . . . 0.0 111.034 -179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.5 mtt . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.544 0.211 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.94 108.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.419 1.074 . . . . 0.0 110.017 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.744 HG22 ' O ' ' A' ' 3' ' ' THR . 1.2 m -165.38 65.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 110.394 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.05 106.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 5' ' ' LEU . 1.6 pt? -174.23 130.58 0.38 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.592 ' CE1' ' OD1' ' A' ' 38' ' ' ASN . 28.3 t80 -139.45 110.58 6.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.392 1.058 . . . . 0.0 110.982 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 83.79 48.2 5.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.479 1.112 . . . . 0.0 111.032 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 13' ' ' GLY . 2.9 t0 -86.33 121.14 28.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 0.726 . . . . 0.0 109.353 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.799 HG11 ' HB3' ' A' ' 22' ' ' ALA . 4.8 t -73.44 -61.23 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.446 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 5.6 p30 -103.56 30.44 5.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.601 1.188 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.428 ' HA ' ' CG ' ' A' ' 8' ' ' ASP . 2.8 m-20 47.62 46.58 17.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.42 1.075 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.456 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -101.44 -54.89 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.461 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -160.73 -47.1 0.02 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 110.938 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.43 -176.84 1.64 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 0.778 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.504 HG23 ' CG2' ' A' ' 9' ' ' VAL . 7.3 p -104.58 102.98 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 109.259 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.437 ' OD1' HG21 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -146.82 -163.02 1.66 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.8 t -58.0 -17.32 16.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.7 m -72.22 -48.63 41.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.393 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.446 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 91.5 m-20 -93.56 23.12 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.485 1.115 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.426 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -59.51 -36.66 76.49 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 109.309 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.573 HG23 ' H ' ' A' ' 22' ' ' ALA . 12.1 m -45.76 -58.59 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.799 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -69.63 -22.36 63.49 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.808 HD11 HG22 ' A' ' 47' ' ' VAL . 1.5 tp -66.77 -59.42 3.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -46.37 -43.29 16.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 109.297 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -32.37 72.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.278 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 3.7 t80 -85.97 -33.63 21.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 111.052 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 70.5 t -59.88 -46.09 94.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.88 -51.47 61.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -155.49 148.42 24.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.318 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.4 t -81.92 70.67 8.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 109.976 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.04 -37.5 1.03 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.49 1.118 . . . . 0.0 111.017 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.511 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 15.1 tt -59.84 163.32 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.542 0.789 . . . . 0.0 109.301 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.1 119.21 38.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 109.961 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.916 HD11 ' HD2' ' A' ' 46' ' ' ARG . 4.2 pt -151.03 171.38 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.581 1.176 . . . . 0.0 109.25 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.664 ' ND2' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -83.87 41.54 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.248 -179.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.846 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 1.2 t -38.3 -29.52 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 1.171 . . . . 0.0 110.426 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 35' ' ' ASN . 2.6 m-20 -56.74 -67.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.327 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.592 ' OD1' ' CE1' ' A' ' 6' ' ' TYR . 8.0 t30 -75.39 -3.66 34.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.846 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -85.31 -66.71 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.438 1.086 . . . . 0.0 109.308 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 46.5 t0 -59.7 146.53 40.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.433 ' CD2' ' OH ' ' A' ' 6' ' ' TYR . 9.9 mt -146.7 -49.71 0.2 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 109.278 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.425 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 39.6 p-10 -79.99 0.29 32.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.425 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 1.7 tt0 80.23 41.32 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 0.9 OUTLIER -114.25 -34.83 5.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.41 ' C ' ' HD3' ' A' ' 46' ' ' ARG . . . 134.74 -57.47 0.69 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.445 1.091 . . . . 0.0 110.986 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.916 ' HD2' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -148.42 -80.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 0.792 . . . . 0.0 110.343 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.808 HG22 HD11 ' A' ' 23' ' ' LEU . 13.1 m -150.67 78.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.402 1.064 . . . . 0.0 109.25 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.502 ' O ' ' CB ' ' A' ' 49' ' ' SER . 7.4 p30 -63.3 -29.89 71.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 159.15 -26.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.055 -179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.2 m -81.48 -44.28 17.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 110.391 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.92 -32.02 45.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.651 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -41.18 -52.57 3.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.299 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -57.96 -68.99 1.41 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 110.964 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.68 HD11 ' O ' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -40.04 -45.27 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.818 ' O ' HG23 ' A' ' 59' ' ' ILE . 2.1 mm? -56.84 -61.67 2.28 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.51 ' O ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -66.55 -3.31 6.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.315 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -90.31 -47.41 7.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.964 ' CD2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -91.26 -40.61 11.42 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.962 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.874 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.1 pp -58.08 -17.74 9.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 56' ' ' LYS . 2.7 tp -52.41 -59.51 4.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -174.92 34.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 63' ' ' ILE . 15.1 mt-10 -124.36 -0.11 8.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.506 HD12 ' HE1' ' A' ' 58' ' ' TYR . 0.2 OUTLIER -39.53 121.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 109.238 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 169.2 -54.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 2.5 t -123.98 -37.81 2.54 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 110.409 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.964 HD12 ' CD2' ' A' ' 58' ' ' TYR . 0.2 OUTLIER 67.91 115.8 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.598 1.186 . . . . 0.0 109.332 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.68 ' O ' HD11 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.04 62.38 5.88 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.481 1.78 . . . . 0.0 110.965 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.532 ' CD2' ' HB2' ' A' ' 69' ' ' LYS . 34.4 p90 -31.94 -43.98 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.944 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.532 ' HB2' ' CD2' ' A' ' 68' ' ' TYR . 0.2 OUTLIER -105.29 139.42 39.97 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -150.03 -58.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.982 0 O-C-N 124.474 1.109 . . . . 0.0 111.006 -179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ' CA' . . . . . 0.428 'CA ' ' HB3' ' A' ' 12' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.3 mtt . . . . . 0 N--CA 1.452 -0.353 0 CA-C-O 120.483 0.183 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.51 -179.49 5.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.977 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 53.2 p -98.02 -165.76 1.29 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.365 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.528 ' C ' HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -59.84 177.83 0.21 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.609 ' HA ' HD11 ' A' ' 63' ' ' ILE . 0.5 OUTLIER -178.94 170.65 1.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.248 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.893 ' CD2' HD13 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -137.38 113.76 10.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 110.971 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.579 ' H ' ' ND2' ' A' ' 38' ' ' ASN . . . 34.15 58.97 0.63 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.432 1.082 . . . . 0.0 110.996 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.534 ' HB2' HD12 ' A' ' 5' ' ' LEU . 0.8 OUTLIER -57.16 151.63 15.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 0.785 . . . . 0.0 109.311 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.984 ' CG2' HG23 ' A' ' 15' ' ' VAL . 57.9 t -88.87 -54.89 7.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.432 ' C ' ' CG ' ' A' ' 11' ' ' ASP . 2.1 p30 -116.12 24.62 11.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.35 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.432 ' CG ' ' C ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER 48.88 52.62 13.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.563 1.164 . . . . 0.0 109.278 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -111.64 -33.06 6.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.416 ' C ' ' HG3' ' A' ' 14' ' ' LYS . . . -174.34 -59.69 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.45 ' CD ' ' OD1' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -167.19 168.43 13.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 109.347 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.984 HG23 ' CG2' ' A' ' 9' ' ' VAL . 9.5 p -86.39 111.71 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.107 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.474 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 0.2 OUTLIER -160.43 -174.2 4.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.373 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.1 t -47.47 -31.22 4.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.983 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.1 m -57.61 -25.88 60.72 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.436 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 71.9 m-20 -114.41 23.15 13.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.326 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.64 -16.9 29.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.242 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 15.8 t -62.95 -60.34 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.903 ' HB1' HD13 ' A' ' 32' ' ' ILE . . . -69.24 -51.26 39.42 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.145 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.722 HD13 HG22 ' A' ' 47' ' ' VAL . 1.3 tp -43.8 -57.04 3.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -47.71 -45.87 29.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.107 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -26.54 67.15 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.679 ' CE1' ' NH1' ' A' ' 46' ' ' ARG . 1.5 t80 -77.35 -59.41 2.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.444 1.09 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 41.6 t -49.98 -41.24 17.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.225 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.41 -48.28 75.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -162.05 163.33 28.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.1 p -95.99 109.63 21.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.983 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.05 -59.9 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.451 1.094 . . . . 0.0 111.016 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.903 HD13 ' HB1' ' A' ' 22' ' ' ALA . 0.9 OUTLIER -60.0 158.11 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 109.33 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.59 119.47 39.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.894 HD11 ' HD3' ' A' ' 46' ' ' ARG . 4.2 pt -136.94 176.61 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.115 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.513 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 1.8 m-20 -93.71 60.65 3.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.484 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 2.9 t -68.93 -7.48 35.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.413 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.56 -65.47 0.59 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.339 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.579 ' ND2' ' H ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -105.95 42.25 1.28 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.484 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -94.58 -86.47 0.28 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.254 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.78 ' O ' HD13 ' A' ' 41' ' ' LEU . 4.0 t70 -77.13 143.89 38.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.78 HD13 ' O ' ' A' ' 40' ' ' ASP . 1.1 mm? -125.63 35.37 4.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.247 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.407 ' OD1' ' OD1' ' A' ' 40' ' ' ASP . 0.3 OUTLIER -138.33 10.47 2.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.421 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 0.7 OUTLIER 62.36 50.68 3.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 110.322 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.473 ' CB ' ' OD1' ' A' ' 48' ' ' ASN . 0.5 OUTLIER -124.03 -38.44 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.49 ' CA ' ' NH1' ' A' ' 46' ' ' ARG . . . 147.62 -73.54 0.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.575 1.172 . . . . 0.0 111.014 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.894 ' HD3' HD11 ' A' ' 34' ' ' ILE . 2.0 mtm-85 -137.21 -83.53 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 0.775 . . . . 0.0 110.314 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.722 HG22 HD13 ' A' ' 23' ' ' LEU . 20.8 m -141.03 120.54 11.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.473 ' OD1' ' CB ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -99.82 -44.68 5.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.301 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.1 t 179.44 -36.39 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.531 1.144 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.4 m -75.94 -38.79 57.23 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.435 1.084 . . . . 0.0 110.384 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 52' ' ' LEU . 1.5 m-20 -67.14 -58.48 4.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.264 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.57 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -39.18 -42.45 0.96 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -56.29 -70.44 0.97 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 68' ' ' TYR . 0.3 OUTLIER -52.82 -39.56 31.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.268 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.821 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -60.26 -59.39 5.49 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.483 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.1 OUTLIER -61.3 -8.18 3.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.405 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -90.45 -48.7 6.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.432 1.082 . . . . 0.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 1.203 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -87.46 -40.02 14.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.943 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.3 pp -57.94 -17.26 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.38 -32.0 62.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.78 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.488 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 mt-10 -54.57 -15.87 2.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.421 1.075 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.691 HD12 ' HE1' ' A' ' 58' ' ' TYR . 0.5 OUTLIER -33.09 110.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.44 ' OD1' ' CE ' ' A' ' 4' ' ' LYS . 2.0 t70 166.28 -54.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.329 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.6 t -118.46 -34.15 4.11 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.458 1.099 . . . . 0.0 110.403 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.203 HD12 ' CE2' ' A' ' 58' ' ' TYR . 1.2 tt 66.06 109.39 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' A' ' 58' ' ' TYR . 18.3 Cg_endo -75.03 61.69 5.74 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.777 . . . . 0.0 110.983 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.504 ' CD2' ' N ' ' A' ' 69' ' ' LYS . 25.1 p90 -35.83 -48.19 0.55 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.396 1.06 . . . . 0.0 110.974 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.504 ' N ' ' CD2' ' A' ' 68' ' ' TYR . 10.4 ttmt 60.47 115.52 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.6 142.29 51.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.526 1.141 . . . . 0.0 110.962 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.9 mtt . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.435 0.16 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.49 126.4 19.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.0 p -110.62 -170.66 1.68 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.425 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.55 137.34 50.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.666 HD23 ' N ' ' A' ' 5' ' ' LEU . 1.4 pt? -176.24 154.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.972 ' CE1' HD21 ' A' ' 41' ' ' LEU . 2.4 t80 -150.36 124.99 9.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.39 1.056 . . . . 0.0 111.035 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.65 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 63.73 61.79 5.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.579 1.175 . . . . 0.0 111.024 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -90.78 150.15 21.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.767 . . . . 0.0 109.375 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.877 ' CG2' HG23 ' A' ' 15' ' ' VAL . 84.4 t -99.22 -56.04 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.375 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.42 ' O ' ' CG ' ' A' ' 11' ' ' ASP . 1.4 p30 -108.01 25.18 11.89 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.42 ' CG ' ' O ' ' A' ' 10' ' ' ASN . 3.8 p-10 48.76 41.48 18.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.33 -51.8 4.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 109.262 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -157.93 -48.3 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.442 1.089 . . . . 0.0 110.97 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.437 ' CD ' ' HB ' ' A' ' 59' ' ' ILE . 0.4 OUTLIER 179.59 168.08 1.14 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 0.754 . . . . 0.0 109.236 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.877 HG23 ' CG2' ' A' ' 9' ' ' VAL . 14.7 p -85.23 110.14 19.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.456 HD22 ' N ' ' A' ' 16' ' ' ASN . 0.4 OUTLIER -149.55 -173.96 4.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.321 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 13.5 t -48.56 -23.71 1.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.2 m -69.82 -42.28 73.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.427 1.08 . . . . 0.0 110.412 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -92.48 25.45 3.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.452 ' HA ' ' CB ' ' A' ' 23' ' ' LEU . . . -62.35 -38.74 90.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.24 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' ALA . 71.1 t -40.67 -60.37 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.24 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.753 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -68.89 -30.53 69.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.796 HD11 HG22 ' A' ' 47' ' ' VAL . 0.9 OUTLIER -57.89 -60.37 3.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.305 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 tttt -46.11 -47.23 17.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.406 1.066 . . . . 0.0 109.299 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 29' ' ' ARG . 1.1 mtt-85 -62.78 -32.73 73.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 110.369 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.7 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 2.9 t80 -73.14 -45.73 55.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 23' ' ' LEU . 20.2 t -59.63 -46.71 92.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 109.328 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.63 -45.13 92.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 25' ' ' ARG . 0.0 OUTLIER -172.91 178.57 2.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 110.267 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.59 96.01 6.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -134.85 -50.06 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.724 ' CD1' ' HB1' ' A' ' 22' ' ' ALA . 1.1 pt -59.84 157.88 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.754 . . . . 0.0 109.27 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m -101.13 120.97 40.99 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 109.967 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.688 ' CG2' HD12 ' A' ' 32' ' ' ILE . 2.9 pt -141.39 178.7 2.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.84 64.79 1.47 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.412 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 5.5 t -66.98 -11.08 55.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 110.401 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' THR . 2.8 m-20 -39.67 -72.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.587 1.18 . . . . 0.0 109.318 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.406 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.8 OUTLIER -110.65 55.53 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 109.261 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' HA ' ' CA ' ' A' ' 7' ' ' GLY . . . -109.25 -73.03 0.7 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 109.323 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -54.4 138.18 40.41 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.972 HD21 ' CE1' ' A' ' 6' ' ' TYR . 3.4 mt -134.46 -46.22 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.47 ' ND2' ' OD2' ' A' ' 44' ' ' ASP . 47.8 p-10 -81.75 5.35 18.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 0.0 109.374 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 66.7 36.42 4.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.47 ' OD2' ' ND2' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -113.86 -31.97 6.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 109.338 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 143.82 -68.21 0.43 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.7 ' CZ ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -147.71 -77.76 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.543 0.79 . . . . 0.0 110.235 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.893 ' CG1' HD13 ' A' ' 55' ' ' LEU . 1.8 m -140.71 75.93 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.444 1.09 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.73 -46.9 87.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.89 -35.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.002 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 50.0 m -86.65 -37.91 17.57 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.528 1.142 . . . . 0.0 110.4 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.492 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -65.51 -49.87 67.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.422 1.076 . . . . 0.0 109.321 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.492 HD11 ' HD2' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -46.14 -49.38 16.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.272 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.419 ' N ' ' HG ' ' A' ' 52' ' ' LEU . . . -52.97 -24.99 22.52 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.553 1.158 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.472 ' CD1' ' HD2' ' A' ' 67' ' ' PRO . 0.2 OUTLIER -90.38 -43.55 14.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.456 0.739 . . . . 0.0 109.3 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.893 HD13 ' CG1' ' A' ' 47' ' ' VAL . 1.7 mp -64.54 -54.18 36.26 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.605 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -61.85 -5.91 2.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 0.0 109.244 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.439 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.1 OUTLIER -90.82 -48.57 6.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.952 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -90.35 -27.35 19.43 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.952 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -78.54 0.36 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.61 1.193 . . . . 0.0 109.333 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 56' ' ' LYS . 0.2 OUTLIER -71.45 -53.73 12.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.107 . . . . 0.0 109.259 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -176.97 -32.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.479 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.5 mt-10 -71.2 5.03 2.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 110.207 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.479 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -33.96 131.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.455 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 1.9 m-20 158.98 57.26 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.567 1.167 . . . . 0.0 109.372 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.421 ' HB ' ' O ' ' A' ' 64' ' ' ASP . 24.7 m 73.7 77.23 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 110.392 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.821 HD12 ' CE2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -40.4 160.4 0.12 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.268 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.472 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.02 -12.89 21.48 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.58 1.831 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.496 ' HB2' HD23 ' A' ' 66' ' ' LEU . 12.7 t80 31.96 83.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 111.029 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -104.41 105.47 15.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.301 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -53.67 -58.71 6.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 109.351 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 0.0 110.961 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.475 0.179 . . . . 0.0 111.025 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -149.6 161.09 42.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.067 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.4 m -130.21 133.29 46.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.441 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.5 tptm -50.89 148.05 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.797 HD22 ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -164.22 147.75 9.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.416 1.072 . . . . 0.0 109.303 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -145.55 110.95 5.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.669 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 80.38 59.38 2.55 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.583 ' OD2' HD23 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -91.83 151.01 20.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.995 ' CG2' HG23 ' A' ' 15' ' ' VAL . 55.3 t -96.31 -60.36 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -109.06 27.36 9.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 49.8 50.25 18.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -105.02 -51.71 2.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.413 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -160.36 -47.18 0.02 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.05 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.615 ' HG3' HG21 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -177.06 167.62 2.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 0.754 . . . . 0.0 109.343 179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.995 HG23 ' CG2' ' A' ' 9' ' ' VAL . 12.6 p -86.39 111.87 21.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.481 ' ND2' HG22 ' A' ' 18' ' ' THR . 1.0 OUTLIER -160.01 -173.03 3.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.159 . . . . 0.0 109.318 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.443 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . 10.9 t -41.87 -43.28 2.98 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.452 1.095 . . . . 0.0 109.955 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.481 HG22 ' ND2' ' A' ' 16' ' ' ASN . 3.1 t -46.74 -39.34 11.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.476 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.439 ' HB3' HG11 ' A' ' 9' ' ' VAL . 6.1 m-20 -104.42 29.94 5.7 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.593 1.183 . . . . 0.0 109.362 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.443 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . -65.95 -15.41 62.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.095 . . . . 0.0 109.344 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 37.5 t -76.65 -60.31 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.361 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.681 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -66.44 -19.47 65.8 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.546 1.154 . . . . 0.0 109.26 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.732 HD13 ' C ' ' A' ' 23' ' ' LEU . 1.7 tm? -78.78 -60.26 2.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.438 ' N ' HD13 ' A' ' 23' ' ' LEU . 1.5 ttpt -49.74 -29.28 7.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' ARG . 0.3 OUTLIER -72.79 -31.81 65.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.268 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.712 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 5.3 t80 -84.6 -40.87 16.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.951 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.481 HG23 HH22 ' A' ' 46' ' ' ARG . 0.3 OUTLIER -68.76 -36.23 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 50.9 tp -77.65 -17.12 58.05 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.528 1.142 . . . . 0.0 109.382 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.421 ' HD3' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 176.19 119.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.293 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 57.8 p -69.61 76.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 109.989 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.421 ' N ' ' HD3' ' A' ' 29' ' ' ARG . . . -128.38 -42.48 0.25 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.587 1.18 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.516 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 4.0 tt -59.5 155.89 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 0.781 . . . . 0.0 109.331 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.409 ' N ' HG12 ' A' ' 32' ' ' ILE . 27.8 p -100.96 120.63 40.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.139 . . . . 0.0 109.976 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.956 HD11 ' HD2' ' A' ' 46' ' ' ARG . 3.6 pt -146.04 153.47 13.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 109.253 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.52 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -69.81 63.15 0.19 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.595 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 14.1 t -70.74 -4.22 22.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 110.414 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -45.3 -62.17 1.37 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.478 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -119.59 45.93 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.315 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -101.64 -53.85 2.88 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 1.1 . . . . 0.0 109.265 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.525 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 4.2 t70 -66.96 141.39 57.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mt -143.68 14.81 1.77 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.14 . . . . 0.0 109.277 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.438 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 3.0 m120 -145.61 11.44 1.27 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.502 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 3.1 tt0 67.33 47.27 1.31 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 110.304 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.445 ' OD1' ' N ' ' A' ' 44' ' ' ASP . 0.0 OUTLIER -126.81 -35.85 2.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.156 . . . . 0.0 109.244 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.525 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 134.06 -54.6 0.76 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.528 1.143 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.956 ' HD2' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -149.83 -87.19 0.08 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 0.746 . . . . 0.0 110.279 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.586 HG22 ' HG ' ' A' ' 23' ' ' LEU . 6.0 m -140.16 139.5 36.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -118.91 -44.48 2.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.3 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.513 ' O ' ' CD1' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -178.26 -36.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.5 m -97.71 -27.72 14.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.433 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.478 ' CB ' ' HA ' ' A' ' 47' ' ' VAL . 0.2 OUTLIER -64.29 -58.18 7.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.18 . . . . 0.0 109.244 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.926 HD13 ' N ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -44.7 -36.92 3.38 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.926 ' N ' HD13 ' A' ' 52' ' ' LEU . . . -53.78 -34.81 51.5 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.528 1.142 . . . . 0.0 110.943 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.759 HG22 HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -80.43 -48.95 19.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.34 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.764 ' O ' HG23 ' A' ' 59' ' ' ILE . 4.2 mm? -52.01 -61.44 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.408 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -57.95 -14.16 5.86 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.425 1.078 . . . . 0.0 109.292 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -88.05 -60.87 1.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 110.251 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.988 ' CD2' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -67.99 -25.64 65.51 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.966 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.764 HG23 ' O ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -88.97 0.81 7.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.77 -34.39 76.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.482 ' C ' ' CD ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER 179.45 -34.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.249 -180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.49 ' O ' ' C ' ' A' ' 63' ' ' ILE . 10.9 mm-40 -59.34 -11.36 4.11 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.56 1.162 . . . . 0.0 110.329 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.541 ' O ' ' CB ' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -33.28 120.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.324 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.541 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER 152.55 -54.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 5.2 t -120.19 -32.23 4.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.988 HD12 ' CD2' ' A' ' 58' ' ' TYR . 0.1 OUTLIER 64.51 100.94 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.296 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.411 ' O ' ' C ' ' A' ' 68' ' ' TYR . 18.3 Cg_endo -75.0 60.63 5.49 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.457 1.767 . . . . 0.0 111.009 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.411 ' C ' ' O ' ' A' ' 67' ' ' PRO . 24.9 p90 -35.85 151.02 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.978 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -169.85 128.58 0.93 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.49 1.119 . . . . 0.0 109.224 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -45.08 -47.82 11.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.266 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 O-C-N 124.545 1.153 . . . . 0.0 111.044 -179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.4 mtm . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.465 0.174 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.23 -77.56 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.94 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 4' ' ' LYS . 0.9 OUTLIER -176.64 -175.81 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.412 -179.921 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' N ' HG23 ' A' ' 3' ' ' THR . 29.2 mttt 59.77 95.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.35 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.433 ' CD1' ' OD1' ' A' ' 11' ' ' ASP . 1.1 pt? -173.02 129.9 0.48 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 1.013 ' CZ ' HD13 ' A' ' 41' ' ' LEU . 28.5 t80 -133.34 95.12 3.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 111.035 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.508 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 67.38 41.03 91.57 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.498 1.124 . . . . 0.0 110.989 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.445 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 6.8 t0 -59.41 154.01 17.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 0.797 . . . . 0.0 109.225 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.675 HG11 ' HB3' ' A' ' 22' ' ' ALA . 21.7 t -90.17 -60.84 2.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.467 ' ND2' ' OD2' ' A' ' 12' ' ' ASP . 8.1 p30 -88.43 -13.67 39.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.433 ' OD1' ' CD1' ' A' ' 5' ' ' LEU . 6.8 t0 70.66 50.32 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.467 ' OD2' ' ND2' ' A' ' 10' ' ' ASN . 0.9 OUTLIER -118.2 -34.34 4.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 12' ' ' ASP . . . -150.71 -67.52 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.104 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.445 ' O ' ' ND2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -171.98 158.88 4.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 0.767 . . . . 0.0 109.305 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.647 HG13 ' CD1' ' A' ' 55' ' ' LEU . 2.7 p -78.71 114.78 19.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.445 ' ND2' ' O ' ' A' ' 14' ' ' LYS . 1.1 p30 -160.19 -174.36 4.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.588 1.18 . . . . 0.0 109.27 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.8 t -48.59 -23.36 0.98 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.034 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.403 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 94.1 m -70.56 -34.69 72.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 110.423 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.457 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 63.4 m-20 -92.83 25.53 3.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.252 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.59 -35.25 75.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 66.2 t -47.84 -60.49 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.354 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.675 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -67.48 -19.73 65.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.775 ' O ' HG23 ' A' ' 27' ' ' VAL . 2.6 tp -72.46 -61.82 1.66 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.378 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.2 tttm -40.45 -40.83 1.29 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 109.267 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.4 -43.35 60.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.318 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.703 ' CD1' ' CZ ' ' A' ' 46' ' ' ARG . 5.3 t80 -67.85 -31.8 71.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 23' ' ' LEU . 24.0 t -70.35 -51.65 36.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.393 1.058 . . . . 0.0 109.248 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.3 -27.96 50.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' NH1' ' CA ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER 178.26 173.35 0.64 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.497 1.123 . . . . 0.0 110.371 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.18 86.19 2.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 110.067 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.473 ' CA ' ' NH1' ' A' ' 29' ' ' ARG . . . -133.05 -41.88 0.17 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 20.0 tt -59.1 157.77 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.533 0.784 . . . . 0.0 109.349 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -99.49 119.99 38.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.43 1.081 . . . . 0.0 110.034 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.731 HD11 ' HD2' ' A' ' 46' ' ' ARG . 2.4 pt -148.77 159.54 6.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.976 ' O ' ' HB2' ' A' ' 39' ' ' ALA . 1.7 m-80 -65.33 73.75 0.05 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' ILE . 0.5 OUTLIER -70.92 -0.43 9.21 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.44 -75.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 0.0 109.238 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.508 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -111.62 29.16 8.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.976 ' HB2' ' O ' ' A' ' 35' ' ' ASN . . . -68.51 -52.39 32.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.504 ' HB2' ' CA ' ' A' ' 45' ' ' GLY . 4.6 t70 -88.85 143.28 27.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.285 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 1.013 HD13 ' CZ ' ' A' ' 6' ' ' TYR . 2.1 mp -142.51 17.25 2.02 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.408 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 1.0 OUTLIER -146.62 18.33 1.31 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.266 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 57.32 33.69 23.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.325 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.412 ' OD2' ' OD1' ' A' ' 51' ' ' ASP . 10.4 m-20 -115.04 -31.83 5.92 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.504 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 126.35 -56.9 0.71 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.731 ' HD2' HD11 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -156.88 -95.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 0.755 . . . . 0.0 110.22 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.78 ' O ' HG23 ' A' ' 47' ' ' VAL . 6.8 m -130.93 82.11 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -77.02 -37.56 54.67 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.896 ' HA ' HD23 ' A' ' 52' ' ' LEU . 0.4 OUTLIER 169.57 -34.65 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.563 1.164 . . . . 0.0 109.944 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.5 m -79.88 -40.52 28.13 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.584 1.178 . . . . 0.0 110.361 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.506 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.1 OUTLIER -75.92 -39.23 56.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.08 . . . . 0.0 109.244 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.896 HD23 ' HA ' ' A' ' 49' ' ' SER . 0.2 OUTLIER -38.97 -46.62 1.35 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.408 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -52.45 -83.55 0.03 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.506 1.129 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.552 HG22 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -43.12 -44.6 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.463 0.743 . . . . 0.0 109.387 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.787 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.7 OUTLIER -53.69 -59.8 4.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.3 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.533 ' HG2' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -69.87 -5.45 25.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.408 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -91.71 -41.48 10.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.358 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.891 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -88.93 -41.69 12.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 111.009 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.891 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.6 pp -59.7 -23.93 27.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -45.39 -36.26 4.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.12 -34.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.512 ' O ' ' C ' ' A' ' 63' ' ' ILE . 2.0 mt-10 -50.73 -18.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.418 1.074 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.512 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -31.11 100.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.356 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 62' ' ' GLU . 17.9 t0 170.43 -32.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 4.6 t -147.54 -45.58 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.121 . . . . 0.0 110.42 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.842 ' O ' HD23 ' A' ' 66' ' ' LEU . 0.0 OUTLIER 69.64 102.34 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 68' ' ' TYR . 18.6 Cg_endo -74.87 60.42 5.33 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.464 1.77 . . . . 0.0 111.095 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.472 ' CD2' ' N ' ' A' ' 69' ' ' LYS . 26.0 p90 -33.93 -47.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.578 1.174 . . . . 0.0 111.011 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.472 ' N ' ' CD2' ' A' ' 68' ' ' TYR . 1.3 ttmm -45.78 107.73 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.14 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 24.7 p-10 -139.7 159.86 41.21 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.3 mtt . . . . . 0 N--CA 1.452 -0.36 0 CA-C-O 120.491 0.186 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -172.51 171.35 4.64 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.473 1.108 . . . . 0.0 110.008 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -145.31 132.38 20.35 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.462 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.2 106.73 3.64 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 109.299 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.586 HD12 ' HB2' ' A' ' 8' ' ' ASP . 1.9 pt? -174.7 160.66 3.04 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.233 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.763 ' CE1' HD21 ' A' ' 41' ' ' LEU . 2.2 t80 -148.88 115.14 5.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.528 ' CA ' ' O ' ' A' ' 38' ' ' ASN . . . 56.22 61.9 6.94 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.563 1.165 . . . . 0.0 110.969 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.586 ' HB2' HD12 ' A' ' 5' ' ' LEU . 4.0 t0 -80.48 150.8 29.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.461 0.742 . . . . 0.0 109.331 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.941 ' CG2' HG23 ' A' ' 15' ' ' VAL . 62.0 t -94.63 -60.21 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -106.06 24.12 12.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.235 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 t70 50.06 49.49 20.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.0 -49.53 3.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 109.357 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -160.18 -52.26 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.547 1.154 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.82 161.06 1.97 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 0.766 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.941 HG23 ' CG2' ' A' ' 9' ' ' VAL . 14.3 p -77.57 114.52 18.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.125 . . . . 0.0 109.252 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.446 ' N ' ' OD1' ' A' ' 16' ' ' ASN . 7.1 p-10 -152.41 -175.4 5.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 109.274 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 t -49.91 -22.16 1.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.993 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 81.2 m -68.57 -35.3 77.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 110.423 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -100.18 21.88 12.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.73 -32.86 74.73 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 65.3 t -48.91 -60.27 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.796 ' HB1' HD13 ' A' ' 32' ' ' ILE . . . -66.07 -19.79 65.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.71 HD22 HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -72.62 -59.76 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.406 1.066 . . . . 0.0 109.311 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -40.43 -43.97 1.91 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.386 1.054 . . . . 0.0 109.352 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 29' ' ' ARG . 3.3 mtt-85 -67.62 -40.93 84.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 110.373 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.499 ' N ' ' O ' ' A' ' 23' ' ' LEU . 33.6 t80 -59.87 -54.78 42.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 111.012 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.71 HG23 HD22 ' A' ' 23' ' ' LEU . 4.2 t -55.86 -49.23 76.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.32 -53.99 52.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -153.86 -179.96 8.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.105 . . . . 0.0 110.301 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 67.3 p -115.49 74.64 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -109.72 -54.65 0.56 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.829 HD12 HG23 ' A' ' 34' ' ' ILE . 1.1 pt -59.78 179.89 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 0.76 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.5 t -130.81 128.28 40.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 109.972 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.829 HG23 HD12 ' A' ' 32' ' ' ILE . 2.7 pt -142.07 155.24 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.524 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 0.7 OUTLIER -69.71 66.46 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.325 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.567 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 1.7 t -65.68 -11.65 46.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.576 1.173 . . . . 0.0 110.436 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -41.97 -75.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.528 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 0.6 OUTLIER -109.97 39.07 2.22 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.57 ' HB3' ' O ' ' A' ' 45' ' ' GLY . . . -69.98 -82.73 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.483 ' HB2' ' CA ' ' A' ' 46' ' ' ARG . 8.8 t0 -91.89 164.93 13.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.249 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.763 HD21 ' CE1' ' A' ' 6' ' ' TYR . 2.2 mm? -113.3 -26.17 8.5 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.473 1.108 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.428 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 5.8 m120 -71.48 -16.26 62.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.165 . . . . 0.0 109.326 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.428 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 2.4 tt0 81.46 50.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.328 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.88 -36.53 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.351 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.57 ' O ' ' HB3' ' A' ' 39' ' ' ALA . . . 159.87 -65.61 0.28 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.477 1.11 . . . . 0.0 111.059 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.837 ' HB2' HG21 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -161.8 -61.93 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.424 0.72 . . . . 0.0 110.335 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.516 HG23 ' HG ' ' A' ' 23' ' ' LEU . 1.1 m -141.41 113.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -98.1 -50.76 4.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.516 ' O ' ' CD1' ' A' ' 52' ' ' LEU . 0.4 OUTLIER 172.45 -32.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.584 1.178 . . . . 0.0 110.014 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.6 m -100.36 -14.44 18.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.403 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -90.25 -47.5 7.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 109.328 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.938 HD13 ' H ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -49.93 -37.64 32.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.611 1.195 . . . . 0.0 109.264 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.938 ' H ' HD13 ' A' ' 52' ' ' LEU . . . -51.96 -44.91 56.47 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.427 1.08 . . . . 0.0 110.956 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.72 HD12 ' CE2' ' A' ' 68' ' ' TYR . 0.7 OUTLIER -72.21 -35.28 52.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.444 0.732 . . . . 0.0 109.283 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.89 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -65.48 -61.62 1.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.471 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.82 -6.15 1.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.273 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.467 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -90.69 -54.46 3.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.952 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -84.3 -28.64 26.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 110.999 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.952 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 0.8 OUTLIER -76.02 -18.93 15.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 -179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.8 tp -40.78 -35.56 0.51 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.274 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.483 ' C ' ' H ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER 178.68 -29.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.204 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.492 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.6 mt-10 -78.16 25.74 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 0.0 110.313 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.741 HD12 ' HB2' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -33.87 143.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 109.334 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.741 ' HB2' HD12 ' A' ' 63' ' ' ILE . 9.6 t0 89.6 -27.35 0.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.418 ' C ' ' HD3' ' A' ' 67' ' ' PRO . 9.2 m -79.33 52.05 1.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.418 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.935 HD12 ' CE2' ' A' ' 58' ' ' TYR . 0.1 OUTLIER -122.0 75.11 38.89 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.577 1.173 . . . . 0.0 109.375 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.418 ' HD3' ' C ' ' A' ' 65' ' ' THR . 18.2 Cg_endo -74.97 -30.84 6.78 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.551 1.816 . . . . 0.0 110.967 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.72 ' CE2' HD12 ' A' ' 54' ' ' ILE . 38.1 m-85 -47.31 135.66 10.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.976 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -162.15 67.58 0.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 p30 178.93 -43.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 109.285 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.426 1.079 . . . . 0.0 110.996 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 31.2 mtt . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.474 0.178 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.418 ' O ' ' HB ' ' A' ' 3' ' ' THR . 0.4 OUTLIER -60.3 150.56 30.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.554 1.159 . . . . 0.0 110.041 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 2' ' ' SER . 0.4 OUTLIER 177.6 153.82 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.42 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.61 ' HB3' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -131.58 136.09 47.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.272 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.748 ' N ' HD13 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -148.68 164.05 35.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.335 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.631 ' O ' HG12 ' A' ' 15' ' ' VAL . 10.0 t80 -130.76 109.97 10.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 111.047 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.706 ' H ' ' ND2' ' A' ' 38' ' ' ASN . . . 37.58 55.03 1.72 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.514 1.134 . . . . 0.0 111.038 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.473 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 6.0 t0 -61.94 154.36 26.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.691 ' CG1' ' HB3' ' A' ' 22' ' ' ALA . 99.4 t -88.47 -60.71 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.554 1.159 . . . . 0.0 109.266 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.448 ' ND2' ' OD2' ' A' ' 12' ' ' ASP . 11.8 p30 -90.82 -13.95 32.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.56 1.162 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 14.8 t0 71.38 50.33 0.29 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.448 ' OD2' ' ND2' ' A' ' 10' ' ' ASN . 0.5 OUTLIER -116.89 -33.07 4.89 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.33 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.404 ' C ' ' OD2' ' A' ' 8' ' ' ASP . . . -152.91 -67.25 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.579 ' HE2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -173.75 150.58 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 0.765 . . . . 0.0 109.341 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.838 HG13 ' CD2' ' A' ' 55' ' ' LEU . 2.7 p -61.63 117.25 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.507 ' HB3' HD12 ' A' ' 59' ' ' ILE . 52.3 p30 -159.88 -165.3 1.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.449 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 41.8 t -59.08 -41.52 88.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.6 m -53.34 -26.43 19.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -96.88 18.31 14.87 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.486 1.116 . . . . 0.0 109.36 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.587 ' HA ' HD22 ' A' ' 23' ' ' LEU . . . -61.68 -32.9 73.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.562 1.164 . . . . 0.0 109.315 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 t -53.25 -61.14 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.691 ' HB3' ' CG1' ' A' ' 9' ' ' VAL . . . -65.88 -48.1 72.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.874 HD23 ' N ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -49.51 -54.43 17.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.091 . . . . 0.0 109.343 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.874 ' N ' HD23 ' A' ' 23' ' ' LEU . 63.7 tttt -44.2 -47.64 9.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.25 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.42 ' HB2' HG21 ' A' ' 32' ' ' ILE . 17.5 mmm180 -65.07 -34.56 78.72 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.115 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.651 ' CE1' ' NE ' ' A' ' 46' ' ' ARG . 34.2 t80 -74.91 -32.1 61.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.58 1.175 . . . . 0.0 111.022 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 23' ' ' LEU . 31.6 t -75.87 -51.52 20.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.81 -34.33 62.64 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.153 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.82 173.42 4.53 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.491 1.119 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 5.0 m -106.44 85.78 2.24 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.555 1.159 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -137.72 -44.75 0.08 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.499 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 17.2 tt -59.96 154.6 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.471 0.748 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.415 ' C ' ' CG2' ' A' ' 34' ' ' ILE . 84.2 p -99.79 118.67 36.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 109.93 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.415 ' CG2' ' C ' ' A' ' 33' ' ' SER . 0.5 OUTLIER -150.22 151.0 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.473 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 0.9 OUTLIER -70.69 67.91 0.38 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.595 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 4.3 t -86.04 24.78 1.24 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 110.421 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -88.28 -39.18 14.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.706 ' ND2' ' H ' ' A' ' 7' ' ' GLY . 1.7 p-10 -121.61 12.8 10.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.272 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.595 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -85.78 -29.34 23.91 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.861 ' O ' HD13 ' A' ' 41' ' ' LEU . 46.8 t0 -98.47 129.7 45.07 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.861 HD13 ' O ' ' A' ' 40' ' ' ASP . 0.6 OUTLIER -128.57 -42.54 1.46 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.333 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.453 ' OD1' ' N ' ' A' ' 42' ' ' ASN . 0.1 OUTLIER -84.33 6.85 21.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.565 1.165 . . . . 0.0 109.347 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 65.85 43.95 2.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 110.274 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.471 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.8 p30 -116.19 -36.96 3.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 46' ' ' ARG . . . 144.45 -71.17 0.38 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.505 1.128 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.651 ' NE ' ' CE1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -145.15 -82.28 0.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 110.273 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 1.113 HG12 HD13 ' A' ' 55' ' ' LEU . 15.6 m -139.18 75.41 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.44 ' CG ' ' N ' ' A' ' 49' ' ' SER . 8.3 p30 -61.53 -47.93 83.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.588 1.18 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.44 ' N ' ' CG ' ' A' ' 48' ' ' ASN . 3.1 t 178.4 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 1.079 . . . . 0.0 110.083 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.07 -40.13 47.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 110.354 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.63 ' O ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -74.41 -41.62 60.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.318 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.521 HD12 ' O ' ' A' ' 47' ' ' VAL . 0.2 OUTLIER -40.22 -61.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -52.37 -58.83 9.98 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -48.27 -50.55 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.521 0.777 . . . . 0.0 109.345 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 1.113 HD13 HG12 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -59.39 -60.59 3.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.441 ' HA ' HG12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -60.07 -7.94 2.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.345 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.466 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.0 OUTLIER -91.95 -47.94 7.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 110.29 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 1.189 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -85.51 -39.57 17.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 111.0 -179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.954 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.2 pt -62.11 -13.85 10.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.427 1.079 . . . . 0.0 109.306 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tp -56.37 -33.15 65.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.428 1.08 . . . . 0.0 109.315 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 179.97 -36.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.366 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.509 ' O ' ' C ' ' A' ' 63' ' ' ILE . 55.5 mm-40 -51.86 -19.41 1.72 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.115 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.744 HD13 ' C ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -30.99 108.89 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.103 . . . . 0.0 109.271 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.494 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 4.8 m-20 156.9 -23.37 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 109.357 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 3.9 t -139.05 -46.09 0.47 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.426 1.079 . . . . 0.0 110.401 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.189 HD12 ' CE2' ' A' ' 58' ' ' TYR . 3.7 tt 66.17 104.64 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 61.45 5.7 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.526 ' H ' HD23 ' A' ' 66' ' ' LEU . 4.4 p90 -39.93 161.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.163 . . . . 0.0 111.045 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.27 125.49 0.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.35 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -63.47 131.4 48.04 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.147 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.483 1.115 . . . . 0.0 110.985 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.361 0 CA-C-O 120.476 0.179 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.09 164.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.7 p -127.87 -172.75 2.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 0.0 110.345 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.42 123.75 35.96 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.772 HD22 ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -167.5 148.7 5.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.244 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.602 ' CE1' HD21 ' A' ' 41' ' ' LEU . 0.5 OUTLIER -147.65 119.02 7.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 64.43 59.93 7.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.503 1.127 . . . . 0.0 110.991 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.704 ' HB2' HD23 ' A' ' 5' ' ' LEU . 3.5 t0 -89.73 121.03 31.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.789 . . . . 0.0 109.289 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.756 HG11 ' NH2' ' A' ' 46' ' ' ARG . 72.2 t -74.93 -60.98 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.266 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -102.1 30.31 4.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.426 1.079 . . . . 0.0 109.256 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 t0 48.37 41.84 17.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.611 1.194 . . . . 0.0 109.286 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.453 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 1.4 t70 -92.91 -56.53 2.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 109.257 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.464 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -162.99 -42.51 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.554 1.159 . . . . 0.0 110.994 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.475 ' CG ' HD13 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -171.5 -165.7 0.4 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.512 0.772 . . . . 0.0 109.276 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.759 HG21 ' HB3' ' A' ' 46' ' ' ARG . 2.9 p -113.69 103.96 16.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.45 HD22 ' N ' ' A' ' 16' ' ' ASN . 0.5 OUTLIER -142.03 -172.23 3.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.571 1.169 . . . . 0.0 109.352 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 10.3 t -49.39 -23.84 1.67 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.047 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.4 m -65.45 -47.25 76.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.41 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' OD2' ' O ' ' A' ' 14' ' ' LYS . 96.4 m-20 -94.46 30.49 1.97 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.96 -2.03 42.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 109.349 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.6 t -76.54 -60.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.183 . . . . 0.0 109.251 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.729 ' HB3' HH22 ' A' ' 46' ' ' ARG . . . -63.84 -26.63 68.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.658 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -69.62 -56.73 6.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.283 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.548 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -45.46 -37.05 4.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 109.335 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' O ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -81.15 -29.75 34.63 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.786 ' CD1' HD11 ' A' ' 32' ' ' ILE . 23.6 t80 -65.45 -33.93 77.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.1 . . . . 0.0 111.025 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -90.43 -40.26 12.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.262 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.476 HD13 ' HE2' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -69.76 -31.86 70.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.54 ' O ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -125.02 -67.27 0.91 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 110.346 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.54 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 1.3 t 88.09 52.93 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.433 ' N ' ' CD ' ' A' ' 29' ' ' ARG . . . -151.79 48.82 0.55 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.499 1.125 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.786 HD11 ' CD1' ' A' ' 26' ' ' TYR . 1.6 pp -123.22 164.11 21.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.746 . . . . 0.0 109.267 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.31 118.39 31.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.607 HG21 HG13 ' A' ' 9' ' ' VAL . 24.8 pt -149.59 171.81 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.584 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -81.04 45.12 0.8 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 109.367 179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.535 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 1.8 t -39.49 -28.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 110.422 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' ASN . 6.4 m-20 -39.49 -74.19 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.43 1.081 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 0.6 OUTLIER -110.26 38.11 2.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.43 1.081 . . . . 0.0 109.321 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.535 ' HB2' ' HA ' ' A' ' 36' ' ' THR . . . -64.99 -67.98 0.4 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.45 ' OD2' ' N ' ' A' ' 43' ' ' GLU . 1.0 OUTLIER -115.04 165.14 13.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.272 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.602 HD21 ' CE1' ' A' ' 6' ' ' TYR . 2.3 mm? -114.7 -26.72 7.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.501 ' CB ' ' OD1' ' A' ' 44' ' ' ASP . 29.9 m120 -64.61 -11.61 36.83 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.454 1.096 . . . . 0.0 109.29 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.45 ' N ' ' OD2' ' A' ' 40' ' ' ASP . 4.4 mt-10 70.4 39.95 1.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.501 ' OD1' ' CB ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -116.46 -33.15 5.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.409 ' C ' ' HG3' ' A' ' 46' ' ' ARG . . . 156.78 -77.15 0.2 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.541 1.151 . . . . 0.0 111.011 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.759 ' HB3' HG21 ' A' ' 15' ' ' VAL . 12.4 mtp180 -140.25 -73.02 0.36 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 110.319 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.647 ' O ' HG23 ' A' ' 47' ' ' VAL . 16.0 m -144.63 100.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -69.92 -40.95 75.25 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.587 1.179 . . . . 0.0 109.225 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.655 ' HA ' HD21 ' A' ' 52' ' ' LEU . 0.4 OUTLIER 174.92 -34.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.036 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 51' ' ' ASP . 16.9 m -89.85 -51.63 5.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 110.44 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.534 ' O ' HD23 ' A' ' 55' ' ' LEU . 1.0 OUTLIER -39.7 -56.09 1.78 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.837 HD12 ' N ' ' A' ' 53' ' ' GLY . 3.1 pp -38.56 -54.48 1.51 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.837 ' N ' HD12 ' A' ' 52' ' ' LEU . . . -46.6 -74.61 0.22 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -46.1 -39.35 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.546 0.792 . . . . 0.0 109.273 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.912 ' O ' HG23 ' A' ' 59' ' ' ILE . 3.0 mm? -57.69 -63.39 1.26 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.476 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -64.79 -3.5 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.277 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -91.18 -49.2 6.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 110.266 -179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.962 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.3 OUTLIER -91.01 -30.71 16.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.401 1.063 . . . . 0.0 110.957 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.962 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 0.8 OUTLIER -71.84 -24.22 22.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.351 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.914 HD13 ' O ' ' A' ' 60' ' ' LEU . 1.8 tm? -92.0 4.09 53.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mtpm? -116.84 -111.47 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.107 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.508 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -82.68 -4.97 58.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 110.311 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.508 ' C ' ' O ' ' A' ' 62' ' ' GLU . 1.4 tp 32.12 90.0 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.356 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.45 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER 158.88 -35.03 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 13.7 m -72.39 -72.68 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 110.403 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.945 HD12 ' CE2' ' A' ' 58' ' ' TYR . 7.1 tt 68.21 89.26 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 57.31 4.55 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.477 1.777 . . . . 0.0 111.018 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.525 ' N ' HD23 ' A' ' 66' ' ' LEU . 21.3 p90 -38.47 123.94 1.24 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.426 1.079 . . . . 0.0 111.019 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.91 155.56 45.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.547 1.154 . . . . 0.0 109.247 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 61.05 166.99 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 109.367 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.949 0 O-C-N 124.492 1.12 . . . . 0.0 110.979 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ' CA' . . . . . 0.45 'CA ' ' HB3' ' A' ' 12' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.4 mtt . . . . . 0 N--CA 1.452 -0.359 0 CA-C-O 120.528 0.204 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.19 102.25 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.999 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.3 t -149.45 167.03 27.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.359 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -126.28 67.09 1.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.6 HD23 ' OD2' ' A' ' 8' ' ' ASP . 0.4 OUTLIER -80.86 132.49 35.47 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.227 -179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.593 ' CE1' HD21 ' A' ' 41' ' ' LEU . 3.1 t80 -150.36 123.48 8.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 110.95 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.475 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 92.21 15.56 53.29 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.516 1.135 . . . . 0.0 110.961 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.6 ' OD2' HD23 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -64.16 91.06 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.612 0.831 . . . . 0.0 109.293 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.869 HG21 ' NH1' ' A' ' 46' ' ' ARG . 42.9 t -61.1 -60.75 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.5 p30 -105.83 29.23 6.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.524 1.14 . . . . 0.0 109.216 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.452 ' HA ' ' CG ' ' A' ' 8' ' ' ASP . 1.1 m-20 48.6 61.21 3.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.472 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -118.72 -54.54 2.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.113 . . . . 0.0 109.352 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -151.93 -57.19 0.01 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.402 1.064 . . . . 0.0 110.981 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.524 ' HE2' HD12 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -172.17 -171.73 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.76 . . . . 0.0 109.309 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.545 ' CG2' ' NE ' ' A' ' 46' ' ' ARG . 8.4 p -87.52 113.63 25.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.086 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.429 ' ND2' ' HE2' ' A' ' 14' ' ' LYS . 15.8 p-10 -160.61 170.7 20.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.353 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.49 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 3.3 t -46.48 -33.59 4.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.034 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 m -50.67 -33.46 22.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.402 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.463 ' CG ' ' HB ' ' A' ' 9' ' ' VAL . 87.6 m-20 -96.92 24.39 6.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.389 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 17' ' ' SER . . . -59.94 -37.94 80.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.122 . . . . 0.0 109.283 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.4 t -46.99 -43.3 6.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.598 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -81.13 -58.77 2.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.779 ' O ' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -42.67 -47.37 5.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.451 1.095 . . . . 0.0 109.298 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.47 -58.89 3.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' ARG . 0.4 OUTLIER -62.16 -37.47 85.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.664 ' HB2' HD11 ' A' ' 32' ' ' ILE . 59.9 t80 -63.83 -34.52 78.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.062 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 23' ' ' LEU . 38.9 t -83.27 -48.37 17.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.261 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.68 -35.91 71.22 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.11 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 31' ' ' GLY . 0.0 OUTLIER -164.21 -174.12 3.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.304 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.69 74.84 1.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.953 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.427 ' N ' ' HD3' ' A' ' 29' ' ' ARG . . . -122.99 -50.85 0.22 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 111.031 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.664 HD11 ' HB2' ' A' ' 26' ' ' TYR . 2.8 pp -59.87 160.68 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.76 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.2 p -117.07 125.71 51.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.408 1.068 . . . . 0.0 110.037 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.544 HG21 HG13 ' A' ' 9' ' ' VAL . 22.4 pt -139.75 -179.77 2.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.343 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.488 ' CG ' ' O ' ' A' ' 35' ' ' ASN . 2.3 p30 -85.79 40.62 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.416 1.073 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.537 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 0.6 OUTLIER -38.47 -29.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 110.438 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 35' ' ' ASN . 1.8 m-20 -44.15 -59.09 2.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.508 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 2.7 p-10 -119.47 49.98 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.571 1.169 . . . . 0.0 109.246 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.537 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -105.58 -49.96 3.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 43' ' ' GLU . 1.6 t70 -79.5 141.24 36.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.593 HD21 ' CE1' ' A' ' 6' ' ' TYR . 1.5 mp -139.6 13.6 2.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.442 1.089 . . . . 0.0 109.263 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.412 ' CG ' ' OD1' ' A' ' 51' ' ' ASP . 12.2 m120 -141.32 14.9 2.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.556 1.16 . . . . 0.0 109.234 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.457 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 2.3 mt-10 58.57 34.0 23.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 6.3 m-20 -114.26 -32.14 6.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 132.54 -44.48 1.2 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.46 1.1 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.869 ' NH1' HG21 ' A' ' 9' ' ' VAL . 9.2 mtp180 -167.17 -92.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.557 0.798 . . . . 0.0 110.315 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.592 ' CG2' HD22 ' A' ' 23' ' ' LEU . 34.1 m -142.84 102.25 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.41 1.069 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -82.16 -34.06 29.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 170.74 -32.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.962 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 51' ' ' ASP . 1.5 m -88.09 -63.72 1.26 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.499 1.124 . . . . 0.0 110.393 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 50' ' ' THR . 1.4 m-20 -36.99 -40.03 0.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.458 1.099 . . . . 0.0 109.27 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -39.59 -61.27 0.84 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.547 1.155 . . . . 0.0 109.329 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.471 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -37.17 -80.42 0.03 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.491 1.12 . . . . 0.0 111.015 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.47 ' CG2' ' N ' ' A' ' 55' ' ' LEU . 0.4 OUTLIER -39.16 -50.54 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 0.0 109.309 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.86 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.9 OUTLIER -51.66 -60.54 3.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.706 ' O ' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -69.33 -2.43 10.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.368 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.5 OUTLIER -93.1 -53.72 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.265 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 1.13 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -73.3 -40.92 64.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 111.028 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.909 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 3.1 pt -63.68 -26.3 40.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.706 HD13 ' O ' ' A' ' 56' ' ' LYS . 4.0 tp -40.52 -56.13 2.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.408 ' O ' ' HD2' ' A' ' 61' ' ' LYS . 0.8 OUTLIER -175.86 35.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.401 ' HB2' ' HA ' ' A' ' 58' ' ' TYR . 2.4 mm-40 -125.36 -3.45 7.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.338 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.557 HD12 ' HE1' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -40.75 114.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 168.51 -34.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.27 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -137.23 -44.11 0.56 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.577 1.173 . . . . 0.0 110.439 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.13 HD12 ' CE2' ' A' ' 58' ' ' TYR . 5.3 tt 69.0 92.28 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 65.97 6.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 110.999 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.507 ' N ' HD23 ' A' ' 66' ' ' LEU . 8.7 p90 -45.23 144.3 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 111.044 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -138.86 126.46 21.93 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -109.44 164.02 12.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.476 1.11 . . . . 0.0 110.969 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ttm . . . . . 0 N--CA 1.452 -0.347 0 CA-C-O 120.488 0.185 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.42 163.73 6.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.976 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 t -167.0 161.34 14.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.454 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 16.7 mttp -122.71 129.99 52.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.524 HD12 ' HB2' ' A' ' 8' ' ' ASP . 1.4 pt? -172.52 150.53 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.337 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.522 ' OH ' HD12 ' A' ' 41' ' ' LEU . 21.4 t80 -150.26 96.5 2.42 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.123 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.62 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 101.65 55.64 0.88 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.549 1.156 . . . . 0.0 111.002 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.524 ' HB2' HD12 ' A' ' 5' ' ' LEU . 3.3 t0 -90.19 149.83 22.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 0.784 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.968 ' CG2' HG23 ' A' ' 15' ' ' VAL . 46.9 t -94.32 -56.29 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.456 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 1.7 p30 -109.5 26.75 10.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.8 t0 50.05 42.71 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 109.248 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -99.91 -52.08 3.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -156.77 -49.57 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.382 1.051 . . . . 0.0 111.057 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.417 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -173.47 179.67 2.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 0.743 . . . . 0.0 109.296 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.968 HG23 ' CG2' ' A' ' 9' ' ' VAL . 9.1 p -96.36 94.02 3.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -142.22 -170.27 3.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 15.1 t -51.35 -38.09 51.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.955 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 50.1 m -49.79 -43.81 48.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 110.398 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.456 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 97.5 m-20 -96.51 24.71 5.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -59.64 -40.48 87.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 6.1 t -41.81 -60.42 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.595 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -61.06 -45.31 95.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.956 HD11 ' HB2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -50.66 -60.53 2.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.2 tttt -40.42 -44.24 1.95 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -47.9 68.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.686 ' CE1' ' CZ ' ' A' ' 46' ' ' ARG . 0.9 OUTLIER -59.43 -45.28 91.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.142 . . . . 0.0 110.999 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 23' ' ' LEU . 15.8 t -61.36 -56.89 14.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 O-C-N 124.499 1.124 . . . . 0.0 109.319 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -50.87 -41.68 58.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER -162.07 161.02 28.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.166 . . . . 0.0 110.276 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.3 m -99.59 69.7 1.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.012 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.7 -37.22 0.68 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.52 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 13.0 tt -59.61 160.92 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.553 0.796 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.71 121.53 45.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.557 1.161 . . . . 0.0 110.015 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.741 HD11 ' HD3' ' A' ' 46' ' ' ARG . 3.2 pt -146.48 165.23 8.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.281 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.471 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -86.37 59.9 5.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.303 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.838 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 5.3 t -61.17 -10.51 6.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.381 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 36' ' ' THR . 0.7 OUTLIER -34.18 -69.16 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.52 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 0.6 OUTLIER -119.33 36.33 4.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.414 1.071 . . . . 0.0 109.321 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.838 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -96.64 -18.04 19.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.292 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -115.68 104.02 11.27 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.699 HD22 ' N ' ' A' ' 41' ' ' LEU . 0.4 OUTLIER -112.67 52.23 0.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 109.356 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.49 ' O ' ' CB ' ' A' ' 43' ' ' GLU . 9.4 m120 -163.4 -30.0 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.49 ' CB ' ' O ' ' A' ' 42' ' ' ASN . 1.8 tt0 86.91 35.44 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 110.284 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.444 ' OD1' ' CB ' ' A' ' 42' ' ' ASN . 0.0 OUTLIER -115.04 -30.97 6.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 0.0 109.247 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.53 ' CA ' ' NH2' ' A' ' 46' ' ' ARG . . . 154.96 -77.77 0.2 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.956 ' HB2' HD11 ' A' ' 23' ' ' LEU . 0.8 OUTLIER -153.99 -66.44 0.14 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 0.784 . . . . 0.0 110.352 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.786 HG22 ' HG ' ' A' ' 23' ' ' LEU . 18.3 m -146.67 71.16 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.488 1.118 . . . . 0.0 109.203 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.404 ' O ' ' CB ' ' A' ' 49' ' ' SER . 7.9 p30 -59.55 -40.62 87.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.4 OUTLIER 166.41 -31.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.559 1.162 . . . . 0.0 110.022 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.5 m -81.21 -33.64 32.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.415 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 52' ' ' LEU . 1.2 t0 -73.91 -43.73 57.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.443 1.089 . . . . 0.0 109.345 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.414 ' C ' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -38.77 -60.61 0.82 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -53.16 -72.61 0.51 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.533 1.146 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.434 HG22 ' CD2' ' A' ' 55' ' ' LEU . 0.3 OUTLIER -40.0 -42.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.527 0.781 . . . . 0.0 109.281 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 59' ' ' ILE . 1.2 mm? -62.45 -61.54 2.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.334 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.463 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -62.91 -5.0 2.48 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.287 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -90.62 -49.61 6.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.309 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.9 ' CZ ' HG22 ' A' ' 59' ' ' ILE . 0.1 OUTLIER -90.35 -31.05 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 110.959 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.9 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 0.7 OUTLIER -72.32 -20.17 19.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.946 HD13 ' O ' ' A' ' 60' ' ' LEU . 2.3 tm? -93.96 1.63 56.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -118.5 -111.75 0.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.422 1.076 . . . . 0.0 109.211 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.526 ' O ' ' C ' ' A' ' 63' ' ' ILE . 1.7 mt-10 -77.83 -9.41 59.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 110.344 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.861 HD13 ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER 30.91 90.94 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.511 1.132 . . . . 0.0 109.369 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.612 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 0.9 OUTLIER 146.36 -20.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.417 ' O ' ' O ' ' A' ' 66' ' ' LEU . 7.2 m -84.48 -45.14 12.95 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.504 1.128 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.864 HD12 ' CE2' ' A' ' 58' ' ' TYR . 5.4 tt 40.43 91.14 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.241 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.602 ' O ' ' CD1' ' A' ' 68' ' ' TYR . 18.2 Cg_endo -75.06 -2.24 12.29 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.525 1.803 . . . . 0.0 110.982 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.707 ' H ' HD23 ' A' ' 66' ' ' LEU . 6.5 p90 34.67 42.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.411 ' O ' ' CG1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -111.05 173.86 6.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.586 1.179 . . . . 0.0 109.284 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 65.39 124.43 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.49 1.119 . . . . 0.0 111.029 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mtt . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 120.406 0.146 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.31 90.79 1.13 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.562 1.164 . . . . 0.0 110.029 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.7 t -158.55 156.51 30.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.379 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.88 155.99 16.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.416 1.072 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.793 HD22 ' C ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -149.27 147.71 28.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.564 1.165 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.707 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.9 t80 -150.45 112.67 4.62 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.632 ' O ' HG12 ' A' ' 15' ' ' VAL . . . 68.82 61.07 4.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.533 1.145 . . . . 0.0 111.027 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.574 ' HB2' HD23 ' A' ' 5' ' ' LEU . 1.1 t0 -88.22 149.55 23.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 0.775 . . . . 0.0 109.36 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.863 HG11 ' HB3' ' A' ' 22' ' ' ALA . 49.3 t -98.71 -59.67 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.328 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -101.7 21.48 14.38 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 50.03 50.41 18.57 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.36 -53.09 2.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.04 -52.16 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.568 1.168 . . . . 0.0 110.993 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.04 169.21 1.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.474 0.749 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.835 HG23 ' CG2' ' A' ' 9' ' ' VAL . 12.4 p -83.23 94.99 3.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.747 HD22 HD13 ' A' ' 59' ' ' ILE . 1.5 p30 -134.65 -179.63 5.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.339 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -45.5 -27.36 0.72 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.944 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.4 m -64.95 -40.74 95.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.394 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.432 ' N ' ' O ' ' A' ' 16' ' ' ASN . 98.7 m-20 -92.52 21.55 5.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 23' ' ' LEU . . . -59.65 -41.01 89.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' ALA . 41.7 t -39.86 -47.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.863 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -80.13 -33.44 38.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.115 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.911 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.4 tp -59.44 -60.11 4.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 109.255 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -51.95 -32.79 34.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.47 ' HG2' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -78.68 -31.32 46.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.328 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.649 ' CD1' ' NE ' ' A' ' 46' ' ' ARG . 17.8 t80 -80.83 -28.79 36.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 23' ' ' LEU . 14.2 t -77.94 -43.98 28.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.274 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.97 0.02 57.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.301 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.444 ' O ' ' CB ' ' A' ' 30' ' ' SER . 1.9 tpt180 74.59 154.74 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 110.331 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.47 ' CB ' ' HG2' ' A' ' 25' ' ' ARG . 0.6 OUTLIER 163.97 158.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.052 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -68.81 59.06 0.51 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.485 1.115 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.506 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 1.6 tt -115.23 153.27 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.512 0.772 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.55 126.4 44.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.992 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.527 ' CG2' HG13 ' A' ' 9' ' ' VAL . 1.8 pt -140.36 176.7 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.371 1.044 . . . . 0.0 109.314 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -96.65 67.01 2.34 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.489 1.118 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.65 ' HA ' ' HB2' ' A' ' 39' ' ' ALA . 5.1 t -68.15 -6.52 23.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.078 . . . . 0.0 110.405 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.78 -75.37 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.504 ' O ' ' CA ' ' A' ' 7' ' ' GLY . 2.8 p-10 -102.36 40.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.65 ' HB2' ' HA ' ' A' ' 36' ' ' THR . . . -76.71 -90.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 1.055 ' O ' HD13 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -79.22 163.01 25.33 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 1.055 HD13 ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -134.22 47.63 2.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.954 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.453 ' CG ' ' C ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -165.11 31.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.37 1.044 . . . . 0.0 109.258 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 46.95 46.39 15.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 110.282 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.4 m-20 -114.24 -36.45 4.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.357 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 130.14 -63.3 0.63 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.667 HH12 HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -145.62 -94.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.603 0.825 . . . . 0.0 110.26 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.686 HG12 HD13 ' A' ' 55' ' ' LEU . 26.7 m -134.57 96.51 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.408 1.067 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.14 -35.44 28.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.434 ' HA ' HD23 ' A' ' 52' ' ' LEU . 0.5 OUTLIER 168.41 -31.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 24.2 m -78.07 -37.99 45.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.362 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.615 ' HB3' HG12 ' A' ' 47' ' ' VAL . 2.2 m-20 -80.13 -50.34 10.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.405 1.066 . . . . 0.0 109.33 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 49' ' ' SER . 0.1 OUTLIER -38.65 -45.34 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.265 -179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.75 -58.29 14.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.69 -44.22 93.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.554 0.797 . . . . 0.0 109.28 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.811 HD22 ' O ' ' A' ' 15' ' ' VAL . 0.5 OUTLIER -60.99 -59.23 5.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.559 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -59.65 -1.29 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.288 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.584 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -91.77 -53.47 4.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.293 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 1.011 ' CE1' HG22 ' A' ' 59' ' ' ILE . 1.0 OUTLIER -91.67 -34.03 14.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 1.011 HG22 ' CE1' ' A' ' 58' ' ' TYR . 1.4 pp -58.58 -15.7 6.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 56' ' ' LYS . 0.1 OUTLIER -47.96 -56.27 8.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 109.324 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.496 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER 177.28 -25.36 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.508 ' O ' ' O ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -63.73 -39.73 95.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.346 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.508 ' O ' ' O ' ' A' ' 62' ' ' GLU . 1.4 tp 40.2 96.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.1 t0 170.83 -31.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.2 m -76.79 53.06 0.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.432 1.083 . . . . 0.0 110.44 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.891 HD12 ' CE2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -148.59 62.67 6.53 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.442 ' HD3' ' N ' ' A' ' 66' ' ' LEU . 18.3 Cg_endo -75.03 -25.17 12.07 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.55 1.816 . . . . 0.0 111.037 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -39.13 126.57 1.66 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.97 -68.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -120.17 116.05 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.347 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.0 mtt . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 120.448 0.166 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.78 146.77 41.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.847 HG23 ' CD1' ' A' ' 5' ' ' LEU . 8.8 t -112.17 -167.08 1.14 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.53 1.144 . . . . 0.0 110.385 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.524 ' C ' HD13 ' A' ' 5' ' ' LEU . 1.6 mttt -135.38 120.29 18.58 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.847 ' CD1' HG23 ' A' ' 3' ' ' THR . 0.0 OUTLIER -137.89 167.18 22.28 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.513 1.133 . . . . 0.0 109.263 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -150.31 100.31 2.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.971 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.97 47.51 2.24 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.439 ' O ' ' CG ' ' A' ' 35' ' ' ASN . 2.8 t0 -81.73 125.77 31.02 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.515 0.774 . . . . 0.0 109.289 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.772 HG11 ' HB3' ' A' ' 22' ' ' ALA . 47.8 t -77.64 -60.23 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.498 1.124 . . . . 0.0 109.261 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.449 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 4.4 p30 -104.38 30.08 5.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.6 t70 48.16 42.48 17.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.406 ' HB3' 'CA ' ' A' ' 72' ' ' ' CA' . 6.3 t70 -98.2 -54.52 3.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.436 ' N ' ' OD1' ' A' ' 8' ' ' ASP . . . -160.26 -45.18 0.02 OUTLIER Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.45 1.094 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.39 -170.9 0.65 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 0.748 . . . . 0.0 109.304 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.66 ' HB ' HG23 ' A' ' 9' ' ' VAL . 5.9 p -108.15 104.02 16.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.439 ' OD1' ' CB ' ' A' ' 18' ' ' THR . 5.7 p30 -154.02 -171.31 3.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.613 ' HA ' ' HB2' ' A' ' 20' ' ' ALA . 15.0 t -48.82 -23.25 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.955 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.439 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 45.5 m -67.55 -36.77 81.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.4 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.449 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 99.5 m-20 -111.16 22.16 15.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.613 ' HB2' ' HA ' ' A' ' 17' ' ' SER . . . -59.88 -22.67 62.65 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 t -57.39 -59.71 2.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.772 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -67.68 -23.27 65.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.315 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.927 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -66.73 -54.32 24.09 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.5 tttt -50.83 -42.91 58.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.303 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -69.46 -26.23 64.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.527 ' CD1' ' HD3' ' A' ' 46' ' ' ARG . 25.1 t80 -83.88 -35.98 23.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.927 HG23 ' O ' ' A' ' 23' ' ' LEU . 9.2 t -67.31 -43.79 87.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 109.361 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.22 -57.47 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.273 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.508 ' O ' ' CB ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -147.3 -82.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.429 1.081 . . . . 0.0 110.319 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 29' ' ' ARG . 2.2 p 158.02 51.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.445 1.091 . . . . 0.0 109.975 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -103.53 -20.43 10.95 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.472 1.108 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.505 ' CD1' ' HA ' ' A' ' 22' ' ' ALA . 16.7 tt -71.23 168.68 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.545 0.791 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -116.94 122.81 45.36 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.57 ' CG2' HG13 ' A' ' 9' ' ' VAL . 11.4 pt -146.61 -179.8 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.706 ' ND2' ' HB2' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -80.88 43.34 0.68 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.508 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 0.0 OUTLIER -38.72 -30.02 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 110.412 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ASN . 0.6 OUTLIER -40.77 -73.57 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 38' ' ' ASN . 1.8 p-10 -109.86 44.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.706 ' HB2' ' ND2' ' A' ' 35' ' ' ASN . . . -93.87 -61.31 1.56 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.576 1.173 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.526 ' O ' HD23 ' A' ' 41' ' ' LEU . 8.1 t0 -64.19 155.6 31.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 109.258 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.526 HD23 ' O ' ' A' ' 40' ' ' ASP . 36.7 mt -154.44 24.34 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 1.094 . . . . 0.0 109.378 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.42 ' OD1' ' OD2' ' A' ' 44' ' ' ASP . 23.7 p-10 -173.86 37.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 47.84 43.2 17.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.175 . . . . 0.0 110.307 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.443 ' OD1' ' NH2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -118.1 -35.83 3.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.469 ' CA ' ' HB2' ' A' ' 40' ' ' ASP . . . 129.3 -64.67 0.6 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.771 ' HB2' HD11 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -148.5 -55.91 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 0.76 . . . . 0.0 110.27 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.703 ' HB ' HD21 ' A' ' 23' ' ' LEU . 3.6 t -156.92 107.73 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.489 ' ND2' HH22 ' A' ' 46' ' ' ARG . 0.3 OUTLIER -90.8 -49.18 6.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 91.8 p 179.24 -36.81 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.103 . . . . 0.0 110.014 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.5 m -84.12 -39.0 20.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.11 . . . . 0.0 110.435 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.496 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -67.61 -28.5 67.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 53' ' ' GLY . 0.1 OUTLIER -52.19 -45.69 65.27 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -63.13 -62.15 5.71 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.544 1.152 . . . . 0.0 111.024 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.539 HG23 ' HB2' ' A' ' 66' ' ' LEU . 2.5 mm -42.52 -46.28 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.558 0.799 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.913 ' O ' HG23 ' A' ' 59' ' ' ILE . 3.1 mm? -60.92 -61.49 2.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 3.8 tttt -63.34 -0.92 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.11 . . . . 0.0 109.279 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 55' ' ' LEU . 2.7 mtt180 -90.42 -53.21 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.125 . . . . 0.0 110.291 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.957 ' CE2' HD12 ' A' ' 66' ' ' LEU . 1.9 p90 -90.52 -27.81 18.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.966 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.923 HG22 ' CE1' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -74.97 -0.75 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.258 -179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 61' ' ' LYS . 13.3 tp -70.47 -52.96 18.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.282 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -177.59 -33.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.469 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.4 OUTLIER -72.14 3.98 4.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 -179.966 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.4 OUTLIER -34.42 131.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.525 ' O ' ' CB ' ' A' ' 65' ' ' THR . 7.4 m-20 162.18 45.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.525 ' CB ' ' O ' ' A' ' 64' ' ' ASP . 2.0 m 85.23 86.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 110.491 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.957 HD12 ' CE2' ' A' ' 58' ' ' TYR . 0.0 OUTLIER -50.35 154.79 1.97 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 54.49 3.67 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.459 1.768 . . . . 0.0 111.019 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -48.61 95.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 111.049 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -161.5 178.5 9.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.8 m120 50.67 96.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 109.325 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.029 0 O-C-N 124.489 1.118 . . . . 0.0 110.964 -179.931 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ' CA' . . . . . 0.406 'CA ' ' HB3' ' A' ' 12' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.5 mtt . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 120.493 0.187 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.97 167.03 23.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.9 t -167.78 152.24 6.58 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.574 1.171 . . . . 0.0 110.429 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.791 ' C ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -153.95 137.03 15.53 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.791 HD23 ' C ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -169.38 -179.48 3.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.517 ' HE1' HD11 ' A' ' 41' ' ' LEU . 2.6 t80 -150.61 110.94 4.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.707 ' H ' ' ND2' ' A' ' 38' ' ' ASN . . . 39.04 56.72 2.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.548 1.155 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.486 ' O ' ' ND2' ' A' ' 35' ' ' ASN . 4.7 t0 -58.37 152.97 16.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 0.779 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.748 HG11 ' HB3' ' A' ' 22' ' ' ALA . 88.2 t -91.19 -60.49 2.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.466 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 6.4 p30 -106.76 20.31 19.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 t70 50.8 54.46 11.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -113.07 -33.93 5.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.146 . . . . 0.0 109.34 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.439 ' N ' ' OD2' ' A' ' 8' ' ' ASP . . . -172.37 -60.57 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.403 ' O ' ' OD2' ' A' ' 19' ' ' ASP . 0.2 OUTLIER -156.5 -171.15 3.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.309 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.773 ' O ' HD12 ' A' ' 55' ' ' LEU . 2.6 p -112.01 96.27 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -148.34 -172.28 4.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.442 1.089 . . . . 0.0 109.332 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 11.3 t -45.37 -36.69 4.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.3 m -50.64 -40.39 53.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.379 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.466 ' OD1' ' ND2' ' A' ' 10' ' ' ASN . 83.2 m-20 -99.85 28.78 4.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.372 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 17' ' ' SER . . . -59.74 -37.91 80.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 109.284 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 20' ' ' ALA . 65.2 t -40.03 -60.39 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.748 ' HB3' HG11 ' A' ' 9' ' ' VAL . . . -66.15 -36.11 82.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.734 HD11 ' CG2' ' A' ' 47' ' ' VAL . 0.5 OUTLIER -55.62 -60.36 3.55 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.66 -41.88 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.2 -41.88 69.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.107 . . . . 0.0 110.254 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.709 ' OH ' HG21 ' A' ' 36' ' ' THR . 26.5 t80 -65.42 -45.96 81.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 23' ' ' LEU . 22.0 t -61.39 -57.34 12.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.421 ' O ' HD23 ' A' ' 28' ' ' LEU . 3.0 tt -48.42 -39.89 24.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.275 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.407 ' HD3' ' N ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -176.34 -179.75 1.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.407 ' N ' ' HD3' ' A' ' 29' ' ' ARG . 89.5 p -107.9 115.29 29.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 110.051 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -160.07 -50.59 0.01 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.934 HD12 HG23 ' A' ' 34' ' ' ILE . 1.3 pp -59.9 148.56 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.295 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.1 p -89.77 121.14 31.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 110.006 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.934 HG23 HD12 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -149.92 166.3 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 109.314 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.486 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 0.5 OUTLIER -95.08 68.52 3.15 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.753 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 5.7 t -81.2 17.14 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 110.428 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -73.0 -45.97 54.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.707 ' ND2' ' H ' ' A' ' 7' ' ' GLY . 1.7 p-10 -120.45 16.46 12.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.594 1.184 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.753 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -83.88 -18.54 37.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.998 ' O ' HD13 ' A' ' 41' ' ' LEU . 1.5 t70 -113.28 141.38 47.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 109.259 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.998 HD13 ' O ' ' A' ' 40' ' ' ASP . 0.5 OUTLIER -140.97 20.68 2.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -151.17 21.76 0.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 55.58 44.87 25.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.303 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -113.29 -32.36 6.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 115.48 -49.53 0.84 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.459 1.099 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.652 ' NH1' HD13 ' A' ' 34' ' ' ILE . 31.4 mmm-85 -145.43 -92.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 0.762 . . . . 0.0 110.323 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.734 ' CG2' HD11 ' A' ' 23' ' ' LEU . 5.7 m -152.73 95.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -71.48 -47.03 58.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.426 ' HA ' HD23 ' A' ' 52' ' ' LEU . 0.2 OUTLIER 177.39 -36.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.4 m -78.4 -34.69 47.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -89.76 -21.57 22.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.463 1.102 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.763 ' C ' HD12 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -60.43 -58.65 7.57 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.573 1.17 . . . . 0.0 109.262 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 57' ' ' ARG . . . -52.39 -62.28 5.9 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.518 1.136 . . . . 0.0 111.045 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.58 HG22 HD23 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -46.57 -40.05 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.575 0.809 . . . . 0.0 109.264 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.848 ' O ' HG23 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -65.99 -57.21 8.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.288 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.2 OUTLIER -69.2 0.54 4.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 109.264 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 53' ' ' GLY . 0.2 OUTLIER -92.75 -53.91 3.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.291 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 1.198 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -80.72 -36.68 31.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 111.056 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.96 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.3 pp -64.72 -11.21 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 tp -63.91 -42.25 97.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 109.346 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.597 ' O ' HG22 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -161.58 -36.24 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.349 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.617 ' O ' ' C ' ' A' ' 63' ' ' ILE . 0.2 OUTLIER -63.2 -1.21 0.95 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.284 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.743 HD13 ' HB2' ' A' ' 64' ' ' ASP . 0.0 OUTLIER -21.37 129.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.243 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.743 ' HB2' HD13 ' A' ' 63' ' ' ILE . 13.6 t0 92.3 -49.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.321 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 62' ' ' GLU . 99.1 m -56.54 -67.17 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.399 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.198 HD12 ' CE2' ' A' ' 58' ' ' TYR . 4.8 tt 54.36 89.11 0.11 Allowed Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 59.28 5.19 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.451 1.764 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.5 p90 -38.93 133.38 1.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 48.3 mtpt -112.44 161.7 16.41 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -87.19 132.74 33.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.265 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.457 1.098 . . . . 0.0 110.907 179.976 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_