data_1daq_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 1daq _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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.56 0.219 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.67 138.08 9.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.964 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.2 t -156.08 157.54 36.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -131.4 111.69 12.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -170.0 148.17 3.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.644 ' CE2' ' CD2' ' A' ' 41' ' ' LEU . 10.0 t80 -148.22 106.46 3.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 86.56 57.41 2.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.452 ' OD2' ' N ' ' A' ' 13' ' ' GLY . 1.5 t0 -94.16 150.69 20.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.61 0.83 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.594 ' CG2' ' CG2' ' A' ' 15' ' ' VAL . 99.4 t -94.74 -57.55 4.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -107.31 23.46 14.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 52.71 43.43 31.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.96 -47.31 5.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.452 ' N ' ' OD2' ' A' ' 8' ' ' ASP . . . -164.85 -48.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.401 ' O ' ' OD2' ' A' ' 19' ' ' ASP . 0.0 OUTLIER -174.01 172.87 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.594 ' CG2' ' CG2' ' A' ' 9' ' ' VAL . 12.9 p -90.97 109.85 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.072 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.451 ' OD1' ' CB ' ' A' ' 18' ' ' THR . 7.6 p30 -146.61 -171.37 3.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 13.4 t -48.61 -39.09 22.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.964 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.451 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 86.6 m -52.15 -36.77 52.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.629 1.206 . . . . 0.0 110.385 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.445 ' CB ' HG23 ' A' ' 9' ' ' VAL . 35.7 m-20 -98.34 24.84 6.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.376 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -66.45 -27.83 68.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.425 HG13 ' NH1' ' A' ' 25' ' ' ARG . 21.5 t -57.33 -60.24 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.75 -22.0 66.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.353 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.486 ' CD1' HG23 ' A' ' 47' ' ' VAL . 1.0 OUTLIER -67.7 -60.2 2.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -45.24 -40.8 7.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.425 ' NH1' HG13 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -70.9 -34.29 71.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.651 ' CD1' ' NE ' ' A' ' 46' ' ' ARG . 10.6 t80 -75.9 -42.47 48.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 111.021 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 t -60.13 -44.69 95.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -42.55 99.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.59 -179.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.9 m -100.34 91.48 4.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -122.87 -39.17 0.54 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -82.86 179.36 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 109.333 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.67 119.86 34.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.964 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.575 HD12 ' CE2' ' A' ' 26' ' ' TYR . 2.2 pt -141.23 159.62 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.444 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 0.8 OUTLIER -78.25 62.49 2.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.46 ' HA ' ' CB ' ' A' ' 39' ' ' ALA . 9.7 t -65.56 -9.64 28.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.167 . . . . 0.0 110.427 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -43.44 -68.88 0.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.551 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -114.71 44.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 36' ' ' THR . . . -94.94 -37.29 11.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -97.77 148.65 23.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.262 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.644 ' CD2' ' CE2' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -148.17 19.36 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.476 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -153.51 20.96 0.54 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 57.48 49.17 13.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.42 ' OD2' ' HB2' ' A' ' 42' ' ' ASN . 0.5 OUTLIER -119.05 -36.31 3.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 126.71 -56.51 0.72 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.651 ' NE ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -145.88 -93.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 0.81 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.486 HG23 ' CD1' ' A' ' 23' ' ' LEU . 35.0 m -146.87 87.04 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.526 HD21 ' N ' ' A' ' 48' ' ' ASN . 1.2 m-80 -70.05 -32.57 70.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 48' ' ' ASN . 0.3 OUTLIER 166.61 -30.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.5 m -72.21 -49.79 32.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.432 ' CB ' HG13 ' A' ' 47' ' ' VAL . 1.4 m-20 -76.68 -42.71 40.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.576 1.172 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.452 ' CA ' ' HB ' ' A' ' 47' ' ' VAL . 0.1 OUTLIER -39.33 -49.98 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.1 -63.93 4.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.42 -32.48 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.624 ' O ' ' CG2' ' A' ' 59' ' ' ILE . 1.6 mm? -65.27 -61.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.176 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.51 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -65.37 -4.85 6.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.33 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.79 -46.92 7.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 110.235 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.677 ' CE2' ' CD1' ' A' ' 66' ' ' LEU . 0.1 OUTLIER -90.56 -33.55 15.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 111.04 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.651 ' CG2' ' CZ ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -68.52 -8.87 10.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 61' ' ' LYS . 2.1 tp -56.66 -36.75 69.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -177.07 -36.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 63' ' ' ILE . 3.2 mt-10 -54.94 -15.65 2.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.489 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -33.2 99.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' GLU . 9.1 t0 174.65 -34.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -130.7 -41.97 1.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.677 ' CD1' ' CE2' ' A' ' 58' ' ' TYR . 2.5 tt 67.91 94.88 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 64.28 6.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.551 1.817 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -38.17 117.99 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -145.11 155.28 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -85.51 166.39 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 109.309 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.998 . . . . . . . . 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 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.56 0.219 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.67 138.08 9.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.964 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.2 t -156.08 157.54 36.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -131.4 111.69 12.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -170.0 148.17 3.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.723 ' CE2' HD21 ' A' ' 41' ' ' LEU . 10.0 t80 -148.22 106.46 3.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 86.56 57.41 2.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.458 ' OD2' HD12 ' A' ' 5' ' ' LEU . 1.5 t0 -94.16 150.69 20.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.61 0.83 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 1.041 ' CG2' HG23 ' A' ' 15' ' ' VAL . 99.4 t -94.74 -57.55 4.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -107.31 23.46 14.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 52.71 43.43 31.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.96 -47.31 5.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.452 ' N ' ' OD2' ' A' ' 8' ' ' ASP . . . -164.85 -48.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HG3' HG21 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -174.01 172.87 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 1.041 HG23 ' CG2' ' A' ' 9' ' ' VAL . 12.9 p -90.97 109.85 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.072 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.451 ' OD1' ' CB ' ' A' ' 18' ' ' THR . 7.6 p30 -146.61 -171.37 3.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 13.4 t -48.61 -39.09 22.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.964 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.451 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 86.6 m -52.15 -36.77 52.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.629 1.206 . . . . 0.0 110.385 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' CB ' HG21 ' A' ' 9' ' ' VAL . 35.7 m-20 -98.34 24.84 6.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.376 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -66.45 -27.83 68.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.404 HG13 ' NH1' ' A' ' 25' ' ' ARG . 21.5 t -57.33 -60.24 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.738 ' HB1' HD11 ' A' ' 32' ' ' ILE . . . -64.75 -22.0 66.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.883 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -67.7 -60.2 2.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -45.24 -40.8 7.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' NH1' HG13 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -70.9 -34.29 71.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.651 ' CD1' ' NE ' ' A' ' 46' ' ' ARG . 10.6 t80 -75.9 -42.47 48.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 111.021 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 23' ' ' LEU . 3.4 t -60.13 -44.69 95.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -42.55 99.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.59 -179.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.9 m -100.34 91.48 4.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -122.87 -39.17 0.54 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.738 HD11 ' HB1' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -82.86 179.36 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 109.333 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.67 119.86 34.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.964 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.495 HD11 ' CE2' ' A' ' 26' ' ' TYR . 2.2 pt -141.23 159.62 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -78.25 62.49 2.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.551 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 9.7 t -65.56 -9.64 28.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.167 . . . . 0.0 110.427 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -43.44 -68.88 0.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.55 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -114.71 44.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.551 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -94.94 -37.29 11.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.704 ' C ' HD12 ' A' ' 41' ' ' LEU . 2.7 t70 -97.77 148.65 23.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.723 HD21 ' CE2' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -148.17 19.36 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.476 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -153.51 20.96 0.54 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 57.48 49.17 13.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' OD2' ' HB2' ' A' ' 42' ' ' ASN . 0.5 OUTLIER -119.05 -36.31 3.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 126.71 -56.51 0.72 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.651 ' NE ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -145.88 -93.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 0.81 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 47' ' ' VAL . 35.0 m -146.87 87.04 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 49' ' ' SER . 3.5 m-20 -70.05 -32.57 70.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.574 ' HA ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER 166.61 -30.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.5 m -72.21 -49.79 32.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.444 ' CB ' HG12 ' A' ' 47' ' ' VAL . 1.4 m-20 -76.68 -42.71 40.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.576 1.172 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -39.33 -49.98 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.1 -63.93 4.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.42 -32.48 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.918 ' O ' HG23 ' A' ' 59' ' ' ILE . 1.6 mm? -65.27 -61.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.176 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.485 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -65.37 -4.85 6.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.33 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -91.79 -46.92 7.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 110.235 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 1.177 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -90.56 -33.55 15.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 111.04 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.972 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -68.52 -8.87 10.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.528 HD23 ' HE3' ' A' ' 61' ' ' LYS . 2.1 tp -56.66 -36.75 69.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.528 ' HE3' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -177.07 -36.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 63' ' ' ILE . 3.2 mt-10 -54.94 -15.65 2.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.489 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -33.2 99.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' GLU . 9.1 t0 174.65 -34.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -130.7 -41.97 1.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 1.177 HD12 ' CE2' ' A' ' 58' ' ' TYR . 2.5 tt 67.91 94.88 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 64.28 6.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.551 1.817 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -38.17 117.99 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -145.11 155.28 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -85.51 166.39 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 109.309 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.998 . . . . . . . . 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 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 120.56 0.219 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.67 138.08 9.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.964 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.2 t -156.08 157.54 36.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 110.407 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -131.4 111.69 12.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.478 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -170.0 148.17 3.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.723 ' CE2' HD21 ' A' ' 41' ' ' LEU . 10.0 t80 -148.22 106.46 3.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 15' ' ' VAL . . . 86.56 57.41 2.08 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.458 ' OD2' HD12 ' A' ' 5' ' ' LEU . 1.5 t0 -94.16 150.69 20.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.61 0.83 . . . . 0.0 109.278 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 1.041 ' CG2' HG23 ' A' ' 15' ' ' VAL . 99.4 t -94.74 -57.55 4.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -107.31 23.46 14.4 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 109.329 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 52.71 43.43 31.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.294 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.96 -47.31 5.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.135 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.452 ' N ' ' OD2' ' A' ' 8' ' ' ASP . . . -164.85 -48.73 0.02 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.485 1.115 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HG3' HG21 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -174.01 172.87 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 109.279 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 1.041 HG23 ' CG2' ' A' ' 9' ' ' VAL . 12.9 p -90.97 109.85 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.416 1.072 . . . . 0.0 109.269 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.451 ' OD1' ' CB ' ' A' ' 18' ' ' THR . 7.6 p30 -146.61 -171.37 3.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.122 . . . . 0.0 109.37 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 13.4 t -48.61 -39.09 22.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.964 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.451 ' CB ' ' OD1' ' A' ' 16' ' ' ASN . 86.6 m -52.15 -36.77 52.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.629 1.206 . . . . 0.0 110.385 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' CB ' HG21 ' A' ' 9' ' ' VAL . 35.7 m-20 -98.34 24.84 6.81 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 109.376 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 17' ' ' SER . . . -66.45 -27.83 68.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.404 HG13 ' NH1' ' A' ' 25' ' ' ARG . 21.5 t -57.33 -60.24 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.434 1.084 . . . . 0.0 109.257 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.738 ' HB1' HD11 ' A' ' 32' ' ' ILE . . . -64.75 -22.0 66.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.353 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.883 ' O ' HG23 ' A' ' 27' ' ' VAL . 1.0 OUTLIER -67.7 -60.2 2.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.6 tttt -45.24 -40.8 7.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.325 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' NH1' HG13 ' A' ' 21' ' ' VAL . 0.5 OUTLIER -70.9 -34.29 71.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 1.125 . . . . 0.0 110.298 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.651 ' CD1' ' NE ' ' A' ' 46' ' ' ARG . 10.6 t80 -75.9 -42.47 48.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 111.021 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 23' ' ' LEU . 3.4 t -60.13 -44.69 95.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.317 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -42.55 99.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.276 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.59 -179.44 0.52 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.569 1.168 . . . . 0.0 110.279 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.9 m -100.34 91.48 4.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 110.016 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -122.87 -39.17 0.54 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.145 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.738 HD11 ' HB1' ' A' ' 22' ' ' ALA . 0.0 OUTLIER -82.86 179.36 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 109.333 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -119.67 119.86 34.95 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.964 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.495 HD11 ' CE2' ' A' ' 26' ' ' TYR . 2.2 pt -141.23 159.62 22.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.095 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.463 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 0.8 OUTLIER -78.25 62.49 2.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.335 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.551 ' HA ' ' HB3' ' A' ' 39' ' ' ALA . 9.7 t -65.56 -9.64 28.3 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 1.167 . . . . 0.0 110.427 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -43.44 -68.88 0.16 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 109.339 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.55 ' HB2' ' CE1' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -114.71 44.27 1.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.251 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.551 ' HB3' ' HA ' ' A' ' 36' ' ' THR . . . -94.94 -37.29 11.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.704 ' C ' HD12 ' A' ' 41' ' ' LEU . 2.7 t70 -97.77 148.65 23.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.262 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.723 HD21 ' CE2' ' A' ' 6' ' ' TYR . 0.3 OUTLIER -148.17 19.36 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 179.945 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.476 ' N ' ' OD1' ' A' ' 42' ' ' ASN . 0.2 OUTLIER -153.51 20.96 0.54 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 57.48 49.17 13.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' OD2' ' HB2' ' A' ' 42' ' ' ASN . 0.5 OUTLIER -119.05 -36.31 3.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 126.71 -56.51 0.72 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.651 ' NE ' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -145.88 -93.47 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.577 0.81 . . . . 0.0 110.273 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.598 ' O ' HG23 ' A' ' 47' ' ' VAL . 35.0 m -146.87 87.04 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.267 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.536 HD22 ' N ' ' A' ' 48' ' ' ASN . 1.2 m-80 -70.05 -32.57 70.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.574 ' HA ' HD23 ' A' ' 52' ' ' LEU . 0.3 OUTLIER 166.61 -30.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.499 1.124 . . . . 0.0 109.991 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.5 m -72.21 -49.79 32.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.369 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.444 ' CB ' HG12 ' A' ' 47' ' ' VAL . 1.4 m-20 -76.68 -42.71 40.74 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.576 1.172 . . . . 0.0 109.276 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.6 HD12 ' O ' ' A' ' 52' ' ' LEU . 0.1 OUTLIER -39.33 -49.98 2.0 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.133 . . . . 0.0 109.307 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.1 -63.93 4.73 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 111.022 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -47.42 -32.48 2.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.493 0.76 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.918 ' O ' HG23 ' A' ' 59' ' ' ILE . 1.6 mm? -65.27 -61.96 1.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.176 . . . . 0.0 109.356 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.485 ' HA ' ' CG1' ' A' ' 59' ' ' ILE . 0.0 OUTLIER -65.37 -4.85 6.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.081 . . . . 0.0 109.33 179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -91.79 -46.92 7.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.133 . . . . 0.0 110.235 -179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 1.177 ' CE2' HD12 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -90.56 -33.55 15.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 111.04 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.972 HG22 ' CZ ' ' A' ' 58' ' ' TYR . 1.0 OUTLIER -68.52 -8.87 10.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.528 HD23 ' HE3' ' A' ' 61' ' ' LYS . 2.1 tp -56.66 -36.75 69.91 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.528 ' HE3' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -177.07 -36.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.489 ' O ' ' C ' ' A' ' 63' ' ' ILE . 3.2 mt-10 -54.94 -15.65 2.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 110.305 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.489 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.9 OUTLIER -33.2 99.21 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 62' ' ' GLU . 9.1 t0 174.65 -34.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -130.7 -41.97 1.16 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 110.432 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 1.177 HD12 ' CE2' ' A' ' 58' ' ' TYR . 2.5 tt 67.91 94.88 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 64.28 6.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.551 1.817 . . . . 0.0 111.024 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -38.17 117.99 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.8 tttt -145.11 155.28 43.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -85.51 166.39 16.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.466 1.103 . . . . 0.0 109.309 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 111.008 -179.998 . . . . . . . . 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 stop_ save_