data_1qyt_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 1qyt _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -81.9 51.73 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 110.018 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 26' ' ' SER . 16.9 m-80 80.88 -49.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.67 139.89 2.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 32' ' ' ILE . . . 85.68 -43.81 3.29 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.79 -58.37 2.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 0.758 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.443 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -71.94 -5.7 6.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' GLY . 7.5 mm -142.92 133.62 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.58 -35.22 4.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.415 HD13 ' N ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -79.12 -57.58 3.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 0.784 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.415 ' N ' HD13 ' A' ' 34' ' ' LEU . 3.4 mtt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.81 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.921 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -112.83 -20.52 11.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.454 1.097 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -85.15 123.0 30.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.41 -12.25 27.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 111.043 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 52.11 32.68 10.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 0.801 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.435 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -72.21 -5.35 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -146.59 134.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.35 -35.35 4.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.471 1.107 . . . . 0.0 111.054 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.415 HD13 ' N ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -79.53 -57.28 3.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.415 ' N ' HD13 ' A' ' 34' ' ' LEU . 2.3 mtm . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.66 -80.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.033 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.502 ' ND2' ' N ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -111.93 -20.9 11.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.66 122.32 26.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.22 -23.38 6.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.468 ' HB3' ' CB ' ' A' ' 34' ' ' LEU . . . 63.48 38.88 9.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.371 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -70.43 -6.78 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -147.69 134.53 13.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.117 . . . . 0.0 109.374 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.16 -36.12 4.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.468 ' CB ' ' HB3' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -77.07 -58.02 3.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.749 . . . . 0.0 109.346 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.5 mtp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -81.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 0.793 . . . . 0.0 109.961 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.406 ' N ' ' ND2' ' A' ' 27' ' ' ASN . 1.3 m120 -112.34 -22.36 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.82 123.74 31.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.77 -25.6 7.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.15 -27.22 18.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.532 0.784 . . . . 0.0 109.256 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.425 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 1.1 mt -70.42 -6.75 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 33' ' ' GLY . 11.8 mt -149.62 139.8 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.402 ' N ' HG23 ' A' ' 32' ' ' ILE . . . 110.38 -40.78 2.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' A' ' 34' ' ' LEU . 1.2 mp -88.87 -57.6 2.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.426 ' HB3' ' ND2' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -47.62 -81.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 110.01 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.572 ' O ' ' C ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -147.35 21.74 1.19 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' C ' ' O ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -26.51 128.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.56 -18.73 56.84 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.508 1.13 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.06 -23.58 11.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 0.815 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.485 ' CG1' ' ND2' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -67.36 -9.47 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.457 ' CG1' HG22 ' A' ' 31' ' ' ILE . 1.8 mt -140.43 24.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.96 -9.74 8.71 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.464 1.102 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.526 ' CD2' ' C ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -96.15 -54.21 3.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 0.777 . . . . 0.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.5 ptp . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.932 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.96 -80.3 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -113.03 -20.04 11.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -81.57 123.46 28.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.36 -18.99 9.13 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 58.71 35.68 24.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 16.4 mt -67.68 -9.19 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.507 ' O ' ' CG2' ' A' ' 32' ' ' ILE . 60.9 mt -150.46 21.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.36 -3.65 8.62 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.437 1.085 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.521 ' CD2' ' C ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -100.2 -53.77 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 110.991 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.426 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.65 -79.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -113.79 -19.6 11.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 123.57 29.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.19 -17.79 11.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 56.63 34.16 24.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.401 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 1.3 mt -69.28 -7.83 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.426 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 4.1 mt -146.67 139.43 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.47 -37.67 3.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tt -66.38 -59.76 3.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.564 0.802 . . . . 0.0 109.336 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.3 mtp . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.901 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -54.95 -167.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.972 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.544 ' O ' ' C ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -80.92 49.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -28.47 128.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.11 -11.69 70.08 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 27' ' ' ASN . . . -120.41 -53.65 2.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 0.742 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.453 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 1.5 mt -73.73 -3.98 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.448 ' CD1' ' O ' ' A' ' 31' ' ' ILE . 12.8 mm -142.9 133.5 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.61 -35.36 4.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.417 HD12 ' N ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -79.79 -57.22 3.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.417 ' N ' HD12 ' A' ' 34' ' ' LEU . 3.0 mtt . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.456 1.098 . . . . 0.0 111.05 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.413 ' HB3' ' ND2' ' A' ' 27' ' ' ASN . 0.5 OUTLIER -81.74 -82.58 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 0.743 . . . . 0.0 110.009 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.413 ' ND2' ' HB3' ' A' ' 26' ' ' SER . 0.0 OUTLIER -112.36 -14.48 13.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -11.67 59.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.07 -37.26 3.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.6 -22.15 43.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.451 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 1.5 mt -73.54 -4.04 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.9 mt -138.36 133.92 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.217 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.01 -34.53 5.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.411 HD13 ' N ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -76.18 -58.3 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 109.242 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.411 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.417 ' HB3' ' ND2' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -66.77 -82.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 109.972 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 26' ' ' SER . 0.0 OUTLIER -111.54 -14.6 13.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -11.7 60.19 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -107.52 -14.44 17.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.143 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.85 -58.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 0.0 109.223 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.452 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 1.5 mt -73.76 -3.81 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.5 mt -146.05 134.0 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.3 -34.98 4.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.407 HD13 ' N ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -78.44 -57.64 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 0.793 . . . . 0.0 109.242 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.407 ' N ' HD13 ' A' ' 34' ' ' LEU . 1.2 mtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 25' ' ' GLY . 2.4 t -60.25 -149.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 0.731 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.508 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -84.95 -8.59 58.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -12.26 47.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.162 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.6 -38.78 0.76 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.08 -21.58 61.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 0.749 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.46 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -74.12 -3.53 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.5 mt -138.79 133.15 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.26 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.61 -34.42 5.32 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -76.66 -58.18 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.418 ' N ' HD12 ' A' ' 34' ' ' LEU . 2.5 mtp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.927 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -82.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 0.722 . . . . 0.0 110.044 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.425 ' ND2' ' N ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -148.48 20.71 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -72.07 -11.53 60.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.237 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.46 -20.12 6.73 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.418 1.074 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 -26.75 68.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.22 -11.34 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.52 135.82 60.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.38 -36.48 3.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.417 HD13 ' N ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -75.84 -57.95 3.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.371 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.417 ' N ' HD13 ' A' ' 34' ' ' LEU . 2.1 mtt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.479 ' C ' ' ND2' ' A' ' 27' ' ' ASN . 0.5 OUTLIER -87.61 44.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 110.007 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.485 ' ND2' ' N ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER 39.58 30.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -92.05 -12.65 32.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.56 -3.52 16.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.64 -32.44 10.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.05 -11.42 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.47 135.69 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.47 -36.58 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.42 HD12 ' N ' ' A' ' 35' ' ' MET . 0.4 OUTLIER -76.48 -57.97 3.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 0.789 . . . . 0.0 109.237 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.42 ' N ' HD12 ' A' ' 34' ' ' LEU . 1.9 mtt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.85 -82.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 0.812 . . . . 0.0 110.066 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.444 ' ND2' ' N ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -148.46 20.66 1.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.39 1.057 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.62 -11.46 60.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.45 4.81 8.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.161 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.59 -47.72 3.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 mt -67.64 -9.41 10.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 91.0 mt -128.15 4.73 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.98 0.61 24.24 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.24 -50.93 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.387 0.698 . . . . 0.0 109.364 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 5.2 mtp . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -176.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.008 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.591 HD21 ' N ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -51.41 -21.47 2.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.591 ' N ' HD21 ' A' ' 27' ' ' ASN . 0.0 OUTLIER -65.66 -11.7 47.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.05 -22.14 6.36 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.105 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.6 -19.08 46.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.461 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -74.1 -3.63 4.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.215 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.3 mt -139.07 133.76 40.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 109.385 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.34 -34.55 5.19 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.41 HD13 ' N ' ' A' ' 35' ' ' MET . 0.3 OUTLIER -77.78 -57.84 3.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.41 ' N ' HD13 ' A' ' 34' ' ' LEU . 2.0 mtt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 111.083 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.77 -81.9 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 0.782 . . . . 0.0 110.058 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.483 ' C ' ' ND2' ' A' ' 27' ' ' ASN . 0.5 OUTLIER -112.46 -14.27 13.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.69 -11.39 27.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.92 -39.73 2.44 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.8 -22.96 27.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 0.747 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.458 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -74.58 -3.07 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.4 mm -138.93 133.42 41.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.96 -34.64 5.06 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.419 1.074 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.412 HD11 ' N ' ' A' ' 35' ' ' MET . 0.4 OUTLIER -77.48 -57.84 3.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.783 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.412 ' N ' HD11 ' A' ' 34' ' ' LEU . 4.4 mtp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.78 -81.91 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 109.979 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.449 ' C ' ' ND2' ' A' ' 27' ' ' ASN . 0.8 OUTLIER -112.49 -14.43 13.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.07 -11.45 41.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.86 11.04 13.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.137 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.16 -57.56 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 0.787 . . . . 0.0 109.222 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.529 ' N ' ' CD1' ' A' ' 31' ' ' ILE . 1.0 OUTLIER -78.42 0.31 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' CG1' ' O ' ' A' ' 31' ' ' ILE . 16.4 mt -154.89 132.73 2.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.07 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.84 -33.27 6.23 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.542 1.152 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.526 ' CD2' ' C ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -77.96 -57.71 3.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.262 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -81.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.037 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' OD1' ' CD1' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -151.1 21.69 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.372 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -11.42 59.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.08 -8.48 21.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.417 1.073 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.19 -58.15 2.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 0.796 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CD1' ' OD1' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -80.22 2.05 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 31' ' ' ILE . 21.4 mt -153.91 130.83 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.28 -33.26 5.93 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.561 1.163 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.62 -57.99 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 109.349 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.5 mtt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.96 -82.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.37 22.6 0.63 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 109.243 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -11.56 60.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.48 -31.48 1.98 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.569 1.168 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.48 -18.18 61.25 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.469 0.746 . . . . 0.0 109.313 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 1.4 mt -73.78 -3.78 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.7 mt -138.37 133.68 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.09 -34.62 5.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.416 HD11 ' N ' ' A' ' 35' ' ' MET . 0.4 OUTLIER -77.68 -57.88 3.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 109.262 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.416 ' N ' HD11 ' A' ' 34' ' ' LEU . 4.6 mtp . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 111.076 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.22 -81.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 0.731 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -151.88 22.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -11.5 59.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.58 -5.28 22.65 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.491 1.12 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.0 -58.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 0.793 . . . . 0.0 109.316 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.522 ' N ' ' CD1' ' A' ' 31' ' ' ILE . 1.0 OUTLIER -79.27 1.0 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.551 1.157 . . . . 0.0 109.226 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.401 ' CG1' ' O ' ' A' ' 31' ' ' ILE . 17.3 mt -153.67 130.81 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.36 -33.32 5.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.404 HD11 ' N ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -79.68 -57.26 3.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.378 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.404 ' N ' HD11 ' A' ' 34' ' ' LEU . 4.0 mtt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.432 ' HB3' ' ND2' ' A' ' 27' ' ' ASN . 0.5 OUTLIER -75.51 -82.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 110.014 179.95 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.432 ' ND2' ' HB3' ' A' ' 26' ' ' SER . 0.2 OUTLIER -110.02 -14.48 14.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.74 -12.53 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -124.79 11.97 7.81 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.573 1.171 . . . . 0.0 110.967 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.05 -48.02 2.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 1.5 mt -73.22 -4.37 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 109.361 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.43 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 1.0 OUTLIER -141.73 134.12 28.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.31 -34.8 4.99 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.519 ' CD2' ' C ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -77.67 -57.71 3.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.729 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ptm . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -81.9 51.73 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 110.018 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 26' ' ' SER . 16.9 m-80 80.88 -49.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.67 139.89 2.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 32' ' ' ILE . . . 85.68 -43.81 3.29 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.79 -58.37 2.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 0.758 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.443 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -71.94 -5.7 6.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' GLY . 7.5 mm -142.92 133.62 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.58 -35.22 4.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.63 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -79.12 -57.58 3.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 0.784 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.617 ' N ' HD13 ' A' ' 34' ' ' LEU . 3.4 mtt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.81 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.921 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -112.83 -20.52 11.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.454 1.097 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -85.15 123.0 30.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.41 -12.25 27.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 111.043 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 52.11 32.68 10.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 0.801 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.435 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -72.21 -5.35 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -146.59 134.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.35 -35.35 4.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.471 1.107 . . . . 0.0 111.054 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.622 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -79.53 -57.28 3.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.614 ' N ' HD13 ' A' ' 34' ' ' LEU . 2.3 mtm . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.66 -80.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.033 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.93 -20.9 11.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.66 122.32 26.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.22 -23.38 6.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.405 ' HB1' ' CB ' ' A' ' 34' ' ' LEU . . . 63.48 38.88 9.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.371 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -70.43 -6.78 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -147.69 134.53 13.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.117 . . . . 0.0 109.374 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.16 -36.12 4.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.631 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -77.07 -58.02 3.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.749 . . . . 0.0 109.346 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.622 ' N ' HD13 ' A' ' 34' ' ' LEU . 5.5 mtp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -81.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 0.793 . . . . 0.0 109.961 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -112.34 -22.36 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.82 123.74 31.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.77 -25.6 7.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.449 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -91.15 -27.22 18.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.532 0.784 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.425 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 1.1 mt -70.42 -6.75 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -149.62 139.8 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.38 -40.78 2.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.68 HD12 ' N ' ' A' ' 34' ' ' LEU . 1.2 mp -88.87 -57.6 2.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.424 ' N ' ' HG2' ' A' ' 28' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.62 -81.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.645 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -147.35 21.74 1.19 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' C ' ' O ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -26.51 128.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.56 -18.73 56.84 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.508 1.13 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.645 ' HB3' ' HB2' ' A' ' 27' ' ' ASN . . . -110.06 -23.58 11.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 0.815 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.483 HG22 ' CG1' ' A' ' 32' ' ' ILE . 0.3 OUTLIER -67.36 -9.47 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.483 ' CG1' HG22 ' A' ' 31' ' ' ILE . 1.8 mt -140.43 24.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.96 -9.74 8.71 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.464 1.102 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.867 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -96.15 -54.21 3.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 0.777 . . . . 0.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.709 ' HG2' HD13 ' A' ' 34' ' ' LEU . 1.5 ptp . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.96 -80.3 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -113.03 -20.04 11.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -81.57 123.46 28.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.36 -18.99 9.13 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 58.71 35.68 24.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.493 HG22 HG13 ' A' ' 32' ' ' ILE . 16.4 mt -67.68 -9.19 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.717 ' O ' HG22 ' A' ' 32' ' ' ILE . 60.9 mt -150.46 21.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.36 -3.65 8.62 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.437 1.085 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.898 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -100.2 -53.77 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.717 ' HG2' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.426 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.65 -79.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -113.79 -19.6 11.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 123.57 29.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.19 -17.79 11.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 56.63 34.16 24.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.401 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 1.3 mt -69.28 -7.83 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.426 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 4.1 mt -146.67 139.43 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.47 -37.67 3.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.641 HD23 ' N ' ' A' ' 35' ' ' MET . 2.7 tt -66.38 -59.76 3.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.564 0.802 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.641 ' N ' HD23 ' A' ' 34' ' ' LEU . 21.3 mtp . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -54.95 -167.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.972 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.911 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 1.4 t-20 -80.92 49.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -28.47 128.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.11 -11.69 70.08 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.911 ' HB3' ' HB3' ' A' ' 27' ' ' ASN . . . -120.41 -53.65 2.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 0.742 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.757 ' O ' HD13 ' A' ' 32' ' ' ILE . 1.5 mt -73.73 -3.98 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.757 HD13 ' O ' ' A' ' 31' ' ' ILE . 12.8 mm -142.9 133.5 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.61 -35.36 4.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.633 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -79.79 -57.22 3.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.599 ' HG2' HD13 ' A' ' 34' ' ' LEU . 3.0 mtt . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.456 1.098 . . . . 0.0 111.05 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.74 -82.58 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 0.743 . . . . 0.0 110.009 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -112.36 -14.48 13.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -11.67 59.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.07 -37.26 3.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.6 -22.15 43.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.451 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 1.5 mt -73.54 -4.04 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.9 mt -138.36 133.92 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.217 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.01 -34.53 5.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.622 HD13 ' N ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -76.18 -58.3 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 109.242 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.622 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.77 -82.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 109.972 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -111.54 -14.6 13.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -11.7 60.19 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -107.52 -14.44 17.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.143 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.85 -58.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 0.0 109.223 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.452 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 1.5 mt -73.76 -3.81 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.5 mt -146.05 134.0 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.3 -34.98 4.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.627 HD13 ' N ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -78.44 -57.64 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 0.793 . . . . 0.0 109.242 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.627 ' N ' HD13 ' A' ' 34' ' ' LEU . 1.2 mtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 25' ' ' GLY . 2.4 t -60.25 -149.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 0.731 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -84.95 -8.59 58.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -12.26 47.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.162 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.6 -38.78 0.76 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.08 -21.58 61.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 0.749 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.46 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -74.12 -3.53 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.5 mt -138.79 133.15 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.26 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.61 -34.42 5.32 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.617 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -76.66 -58.18 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.61 ' N ' HD13 ' A' ' 34' ' ' LEU . 2.5 mtp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.927 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -82.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 0.722 . . . . 0.0 110.044 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -148.48 20.71 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -72.07 -11.53 60.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.237 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 32' ' ' ILE . . . -112.46 -20.12 6.73 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.418 1.074 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 -26.75 68.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.22 -11.34 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 29' ' ' GLY . 0.3 OUTLIER -129.52 135.82 60.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.38 -36.48 3.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.615 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -75.84 -57.95 3.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.371 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.601 ' N ' HD13 ' A' ' 34' ' ' LEU . 2.1 mtt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.454 ' C ' ' N ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -87.61 44.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 110.007 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 39.58 30.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -92.05 -12.65 32.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.56 -3.52 16.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.64 -32.44 10.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.05 -11.42 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.47 135.69 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.47 -36.58 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.658 HD13 ' N ' ' A' ' 35' ' ' MET . 0.4 OUTLIER -76.48 -57.97 3.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 0.789 . . . . 0.0 109.237 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.658 ' N ' HD13 ' A' ' 34' ' ' LEU . 1.9 mtt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.85 -82.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 0.812 . . . . 0.0 110.066 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -148.46 20.66 1.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.39 1.057 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.62 -11.46 60.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.45 4.81 8.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.161 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.59 -47.72 3.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 mt -67.64 -9.41 10.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.533 ' O ' HG22 ' A' ' 32' ' ' ILE . 91.0 mt -128.15 4.73 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.98 0.61 24.24 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.769 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -117.24 -50.93 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.387 0.698 . . . . 0.0 109.364 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.575 ' HG2' HD13 ' A' ' 34' ' ' LEU . 5.2 mtp . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -176.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.008 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.41 -21.47 2.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 109.33 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -11.7 47.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.05 -22.14 6.36 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.105 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.6 -19.08 46.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.461 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -74.1 -3.63 4.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.215 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.3 mt -139.07 133.76 40.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 109.385 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.34 -34.55 5.19 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.632 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -77.78 -57.84 3.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.601 ' N ' HD13 ' A' ' 34' ' ' LEU . 2.0 mtt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 111.083 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.77 -81.9 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 0.782 . . . . 0.0 110.058 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -112.46 -14.27 13.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.69 -11.39 27.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.92 -39.73 2.44 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.8 -22.96 27.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 0.747 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.67 ' O ' HD13 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -74.58 -3.07 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 31' ' ' ILE . 27.4 mm -138.93 133.42 41.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.96 -34.64 5.06 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.419 1.074 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.674 HD13 ' N ' ' A' ' 35' ' ' MET . 0.4 OUTLIER -77.48 -57.84 3.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.783 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.674 ' N ' HD13 ' A' ' 34' ' ' LEU . 4.4 mtp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.78 -81.91 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 109.979 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.449 ' C ' ' ND2' ' A' ' 27' ' ' ASN . 0.8 OUTLIER -112.49 -14.43 13.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.07 -11.45 41.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.86 11.04 13.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.137 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.414 ' C ' HD13 ' A' ' 31' ' ' ILE . . . -125.16 -57.56 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 0.787 . . . . 0.0 109.222 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.768 ' N ' HD13 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -78.42 0.31 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' CG1' ' O ' ' A' ' 31' ' ' ILE . 16.4 mt -154.89 132.73 2.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.07 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.84 -33.27 6.23 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.542 1.152 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.823 ' C ' HD22 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -77.96 -57.71 3.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.262 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.705 ' HG2' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -81.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.037 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' OD1' ' CD1' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -151.1 21.69 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.372 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -11.42 59.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.08 -8.48 21.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.417 1.073 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.19 -58.15 2.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 0.796 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CD1' ' OD1' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -80.22 2.05 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 31' ' ' ILE . 21.4 mt -153.91 130.83 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.28 -33.26 5.93 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.561 1.163 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.635 HD13 ' N ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -77.62 -57.99 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 109.349 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.635 ' N ' HD13 ' A' ' 34' ' ' LEU . 4.5 mtt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.96 -82.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -152.37 22.6 0.63 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 109.243 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -11.56 60.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.48 -31.48 1.98 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.569 1.168 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.48 -18.18 61.25 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.469 0.746 . . . . 0.0 109.313 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 1.4 mt -73.78 -3.78 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.7 mt -138.37 133.68 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.09 -34.62 5.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.679 HD13 ' N ' ' A' ' 35' ' ' MET . 0.4 OUTLIER -77.68 -57.88 3.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 109.262 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.679 ' N ' HD13 ' A' ' 34' ' ' LEU . 4.6 mtp . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 111.076 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.22 -81.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 0.731 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -151.88 22.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -11.5 59.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.58 -5.28 22.65 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.491 1.12 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.425 ' C ' HD13 ' A' ' 31' ' ' ILE . . . -100.0 -58.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 0.793 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.765 ' N ' HD13 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -79.27 1.0 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.551 1.157 . . . . 0.0 109.226 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.401 ' CG1' ' O ' ' A' ' 31' ' ' ILE . 17.3 mt -153.67 130.81 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.36 -33.32 5.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.621 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -79.68 -57.26 3.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.378 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.608 ' HG2' HD13 ' A' ' 34' ' ' LEU . 4.0 mtt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.51 -82.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 110.014 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.02 -14.48 14.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.74 -12.53 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -124.79 11.97 7.81 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.573 1.171 . . . . 0.0 110.967 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.05 -48.02 2.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 1.5 mt -73.22 -4.37 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 109.361 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.629 ' N ' HD12 ' A' ' 32' ' ' ILE . 1.0 OUTLIER -141.73 134.12 28.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.31 -34.8 4.99 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.821 ' C ' HD22 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -77.67 -57.71 3.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.729 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.696 ' HG2' HD13 ' A' ' 34' ' ' LEU . 2.4 ptm . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -81.9 51.73 1.8 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 0.772 . . . . 0.0 110.018 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.472 ' CB ' ' O ' ' A' ' 26' ' ' SER . 16.9 m-80 80.88 -49.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.67 139.89 2.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.243 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 32' ' ' ILE . . . 85.68 -43.81 3.29 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.485 1.116 . . . . 0.0 110.994 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.79 -58.37 2.6 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 0.758 . . . . 0.0 109.292 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.443 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.6 OUTLIER -71.94 -5.7 6.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.14 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 29' ' ' GLY . 7.5 mm -142.92 133.62 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.58 -35.22 4.87 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.48 1.113 . . . . 0.0 110.998 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.63 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -79.12 -57.58 3.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.533 0.784 . . . . 0.0 109.326 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.617 ' N ' HD13 ' A' ' 34' ' ' LEU . 3.4 mtt . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 110.98 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.81 -80.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 0.0 109.921 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -112.83 -20.52 11.58 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.454 1.097 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -85.15 123.0 30.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.437 1.086 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.41 -12.25 27.6 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.444 1.09 . . . . 0.0 111.043 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 52.11 32.68 10.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 0.801 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.435 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -72.21 -5.35 6.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.553 1.158 . . . . 0.0 109.327 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -146.59 134.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.247 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.35 -35.35 4.64 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.471 1.107 . . . . 0.0 111.054 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.622 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -79.53 -57.28 3.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.557 0.798 . . . . 0.0 109.298 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.614 ' N ' HD13 ' A' ' 34' ' ' LEU . 2.3 mtm . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.045 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -92.66 -80.82 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 0.0 110.033 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.502 ' ND2' ' N ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -111.93 -20.9 11.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 109.285 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.66 122.32 26.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.452 1.095 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 83.22 -23.38 6.2 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.405 ' HB1' ' CB ' ' A' ' 34' ' ' LEU . . . 63.48 38.88 9.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 0.746 . . . . 0.0 109.371 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.417 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.5 OUTLIER -70.43 -6.78 7.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -147.69 134.53 13.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.117 . . . . 0.0 109.374 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 99.16 -36.12 4.25 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.531 1.144 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.631 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -77.07 -58.02 3.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.474 0.749 . . . . 0.0 109.346 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.622 ' N ' HD13 ' A' ' 34' ' ' LEU . 5.5 mtp . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.06 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.5 -81.85 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 0.793 . . . . 0.0 109.961 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.406 ' N ' ' ND2' ' A' ' 27' ' ' ASN . 1.3 m120 -112.34 -22.36 10.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.339 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.82 123.74 31.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 86.77 -25.6 7.32 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.449 ' HA ' HD13 ' A' ' 34' ' ' LEU . . . -91.15 -27.22 18.67 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.532 0.784 . . . . 0.0 109.256 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.425 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 1.1 mt -70.42 -6.75 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -149.62 139.8 16.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.311 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.38 -40.78 2.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.478 1.111 . . . . 0.0 110.995 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.68 ' N ' HD12 ' A' ' 34' ' ' LEU . 1.2 mp -88.87 -57.6 2.85 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 0.764 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 111.0 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.424 ' N ' ' HG2' ' A' ' 28' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.426 ' HB3' ' ND2' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -47.62 -81.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 0.743 . . . . 0.0 110.01 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.645 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -147.35 21.74 1.19 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.572 ' C ' ' O ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -26.51 128.46 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.56 -18.73 56.84 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.508 1.13 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.645 ' HB3' ' HB2' ' A' ' 27' ' ' ASN . . . -110.06 -23.58 11.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.586 0.815 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.485 ' CG1' ' ND2' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -67.36 -9.47 10.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.483 ' CG1' HG22 ' A' ' 31' ' ' ILE . 1.8 mt -140.43 24.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.96 -9.74 8.71 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.464 1.102 . . . . 0.0 111.008 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.867 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -96.15 -54.21 3.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.522 0.777 . . . . 0.0 109.341 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.709 ' HG2' HD13 ' A' ' 34' ' ' LEU . 1.5 ptp . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -99.96 -80.3 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 0.743 . . . . 0.0 110.027 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -113.03 -20.04 11.66 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 ptmt -81.57 123.46 28.68 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.569 1.168 . . . . 0.0 109.286 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.36 -18.99 9.13 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.47 1.106 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 58.71 35.68 24.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 0.779 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.493 HG22 HG13 ' A' ' 32' ' ' ILE . 16.4 mt -67.68 -9.19 10.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.469 1.106 . . . . 0.0 109.353 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 32' ' ' ILE . 60.9 mt -150.46 21.92 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -123.36 -3.65 8.62 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.437 1.085 . . . . 0.0 111.02 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.898 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -100.2 -53.77 3.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.717 ' HG2' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.42 1.075 . . . . 0.0 110.991 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.426 ' O ' ' CG1' ' A' ' 32' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.65 -79.8 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.037 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -113.79 -19.6 11.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 109.294 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 123.57 29.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.33 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 81.19 -17.79 11.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 56.63 34.16 24.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.466 0.745 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.401 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 1.3 mt -69.28 -7.83 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.434 1.084 . . . . 0.0 109.255 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.426 ' CG1' ' O ' ' A' ' 25' ' ' GLY . 4.1 mt -146.67 139.43 19.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 96.47 -37.67 3.36 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.535 1.147 . . . . 0.0 111.044 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.641 HD23 ' N ' ' A' ' 35' ' ' MET . 2.7 tt -66.38 -59.76 3.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.564 0.802 . . . . 0.0 109.336 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.641 ' N ' HD23 ' A' ' 34' ' ' LEU . 21.3 mtp . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.901 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.531 1.052 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -54.95 -167.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 109.972 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.911 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -80.92 49.81 1.28 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER -28.47 128.65 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 90.11 -11.69 70.08 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.487 1.117 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.911 ' HB3' ' HB3' ' A' ' 27' ' ' ASN . . . -120.41 -53.65 2.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.461 0.742 . . . . 0.0 109.255 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.757 ' O ' HD13 ' A' ' 32' ' ' ILE . 1.5 mt -73.73 -3.98 4.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.362 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.757 HD13 ' O ' ' A' ' 31' ' ' ILE . 12.8 mm -142.9 133.5 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.61 -35.36 4.67 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.633 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -79.79 -57.22 3.76 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 0.76 . . . . 0.0 109.28 -179.932 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.599 ' HG2' HD13 ' A' ' 34' ' ' LEU . 3.0 mtt . . . . . 0 C--N 1.326 -0.418 0 O-C-N 124.456 1.098 . . . . 0.0 111.05 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.412 ' HB3' ' ND2' ' A' ' 27' ' ' ASN . 0.5 OUTLIER -81.74 -82.58 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 0.743 . . . . 0.0 110.009 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.412 ' ND2' ' HB3' ' A' ' 26' ' ' SER . 0.0 OUTLIER -112.36 -14.48 13.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 0.0 109.274 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.73 -11.67 59.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -102.07 -37.26 3.42 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.023 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.6 -22.15 43.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 0.765 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.451 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 1.5 mt -73.54 -4.04 4.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 58.9 mt -138.36 133.92 43.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.217 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.01 -34.53 5.15 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.455 1.097 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.622 HD13 ' N ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -76.18 -58.3 3.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 0.785 . . . . 0.0 109.242 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.622 ' N ' HD13 ' A' ' 34' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.417 ' HB3' ' ND2' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -66.77 -82.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 0.781 . . . . 0.0 109.972 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.417 ' ND2' ' HB3' ' A' ' 26' ' ' SER . 0.0 OUTLIER -111.54 -14.6 13.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.9 -11.7 60.19 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -107.52 -14.44 17.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.528 1.143 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.85 -58.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 0.789 . . . . 0.0 109.223 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.452 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 1.5 mt -73.76 -3.81 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.5 mt -146.05 134.0 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.3 -34.98 4.86 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.523 1.139 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.627 HD13 ' N ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -78.44 -57.64 3.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 0.793 . . . . 0.0 109.242 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.627 ' N ' HD13 ' A' ' 34' ' ' LEU . 1.2 mtt . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 111.034 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 26' ' ' SER . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 25' ' ' GLY . 2.4 t -60.25 -149.65 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 0.731 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.524 ' H ' ' ND2' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -84.95 -8.59 58.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 -179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.94 -12.26 47.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.56 1.162 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -118.6 -38.78 0.76 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.527 1.142 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.08 -21.58 61.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 0.749 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.46 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -74.12 -3.53 4.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.13 . . . . 0.0 109.329 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.5 mt -138.79 133.15 41.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.26 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.61 -34.42 5.32 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.617 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -76.66 -58.18 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.308 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.61 ' N ' HD13 ' A' ' 34' ' ' LEU . 2.5 mtp . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.927 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.04 -82.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.428 0.722 . . . . 0.0 110.044 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.425 ' ND2' ' N ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -148.48 20.71 1.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 0.0 109.344 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -72.07 -11.53 60.8 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.237 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 32' ' ' ILE . . . -112.46 -20.12 6.73 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.418 1.074 . . . . 0.0 110.955 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.36 -26.75 68.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 0.772 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -65.22 -11.34 11.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 29' ' ' GLY . 0.3 OUTLIER -129.52 135.82 60.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.081 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.38 -36.48 3.97 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.52 1.137 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.615 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -75.84 -57.95 3.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.371 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.601 ' N ' HD13 ' A' ' 34' ' ' LEU . 2.1 mtt . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.479 ' C ' ' ND2' ' A' ' 27' ' ' ASN . 0.5 OUTLIER -87.61 44.33 1.18 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 0.765 . . . . 0.0 110.007 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.485 ' ND2' ' N ' ' A' ' 27' ' ' ASN . 0.0 OUTLIER 39.58 30.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.454 ' N ' ' C ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -92.05 -12.65 32.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.309 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.56 -3.52 16.43 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.64 -32.44 10.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 109.29 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.05 -11.42 11.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.47 135.69 61.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.47 -36.58 3.91 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.658 HD13 ' N ' ' A' ' 35' ' ' MET . 0.4 OUTLIER -76.48 -57.97 3.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.541 0.789 . . . . 0.0 109.237 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.658 ' N ' HD13 ' A' ' 34' ' ' LEU . 1.9 mtt . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 111.028 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.043 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -86.85 -82.72 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 0.812 . . . . 0.0 110.066 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.444 ' ND2' ' N ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -148.46 20.66 1.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.39 1.057 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.62 -11.46 60.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -125.45 4.81 8.16 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.557 1.161 . . . . 0.0 110.979 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.59 -47.72 3.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 0.765 . . . . 0.0 109.289 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.2 mt -67.64 -9.41 10.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.568 1.167 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 32' ' ' ILE . 91.0 mt -128.15 4.73 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.98 0.61 24.24 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.769 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -117.24 -50.93 2.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.387 0.698 . . . . 0.0 109.364 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.575 ' HG2' HD13 ' A' ' 34' ' ' LEU . 5.2 mtp . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -176.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.008 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.607 HD22 ' N ' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -51.41 -21.47 2.34 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 109.33 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.607 ' N ' HD22 ' A' ' 27' ' ' ASN . 0.0 OUTLIER -65.66 -11.7 47.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 0.0 109.254 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -111.05 -22.14 6.36 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.105 . . . . 0.0 111.011 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.6 -19.08 46.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.323 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.461 ' O ' ' CG2' ' A' ' 31' ' ' ILE . 0.7 OUTLIER -74.1 -3.63 4.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.449 1.093 . . . . 0.0 109.215 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.3 mt -139.07 133.76 40.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 109.385 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.34 -34.55 5.19 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.504 1.127 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.632 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.3 OUTLIER -77.78 -57.84 3.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 0.79 . . . . 0.0 109.3 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.601 ' N ' HD13 ' A' ' 34' ' ' LEU . 2.0 mtt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.156 . . . . 0.0 111.083 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.77 -81.9 0.54 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.529 0.782 . . . . 0.0 110.058 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.483 ' C ' ' ND2' ' A' ' 27' ' ' ASN . 0.5 OUTLIER -112.46 -14.27 13.27 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.69 -11.39 27.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.115 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.92 -39.73 2.44 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.505 1.128 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.8 -22.96 27.27 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.469 0.747 . . . . 0.0 109.318 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.67 ' O ' HD13 ' A' ' 32' ' ' ILE . 0.8 OUTLIER -74.58 -3.07 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.67 HD13 ' O ' ' A' ' 31' ' ' ILE . 27.4 mm -138.93 133.42 41.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.96 -34.64 5.06 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.419 1.074 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.674 HD13 ' N ' ' A' ' 35' ' ' MET . 0.4 OUTLIER -77.48 -57.84 3.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 0.783 . . . . 0.0 109.284 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.674 ' N ' HD13 ' A' ' 34' ' ' LEU . 4.4 mtp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.112 . . . . 0.0 110.923 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.78 -81.91 0.55 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 0.777 . . . . 0.0 109.979 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.449 ' C ' ' ND2' ' A' ' 27' ' ' ASN . 0.8 OUTLIER -112.49 -14.43 13.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.07 -11.45 41.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -117.86 11.04 13.65 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.137 . . . . 0.0 111.005 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.414 ' C ' HD13 ' A' ' 31' ' ' ILE . . . -125.16 -57.56 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 0.787 . . . . 0.0 109.222 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.768 ' N ' HD13 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -78.42 0.31 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.443 ' CG1' ' O ' ' A' ' 31' ' ' ILE . 16.4 mt -154.89 132.73 2.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.07 . . . . 0.0 109.278 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.84 -33.27 6.23 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.542 1.152 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.823 HD22 ' C ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -77.96 -57.71 3.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 109.262 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.705 ' HG2' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 111.027 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -81.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.037 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' OD1' ' CD1' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -151.1 21.69 0.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.372 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.54 -11.42 59.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -112.08 -8.48 21.85 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.417 1.073 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.19 -58.15 2.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 0.796 . . . . 0.0 109.279 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.461 ' CD1' ' OD1' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -80.22 2.05 2.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 109.347 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.418 ' CG1' ' O ' ' A' ' 31' ' ' ILE . 21.4 mt -153.91 130.83 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.239 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.28 -33.26 5.93 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.561 1.163 . . . . 0.0 111.049 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.635 HD13 ' N ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -77.62 -57.99 3.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 0.737 . . . . 0.0 109.349 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.635 ' N ' HD13 ' A' ' 34' ' ' LEU . 4.5 mtt . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 111.034 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.944 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.96 -82.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -152.37 22.6 0.63 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.109 . . . . 0.0 109.243 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.38 -11.56 60.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.27 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -115.48 -31.48 1.98 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.569 1.168 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -62.48 -18.18 61.25 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.469 0.746 . . . . 0.0 109.313 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 1.4 mt -73.78 -3.78 4.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 52.7 mt -138.37 133.68 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.09 -34.62 5.09 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.487 1.117 . . . . 0.0 110.973 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.679 HD13 ' N ' ' A' ' 35' ' ' MET . 0.4 OUTLIER -77.68 -57.88 3.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 109.262 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.679 ' N ' HD13 ' A' ' 34' ' ' LEU . 4.6 mtp . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 111.076 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.22 -81.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 0.731 . . . . 0.0 109.969 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -151.88 22.12 0.68 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.82 -11.5 59.82 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -113.58 -5.28 22.65 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.491 1.12 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.425 ' C ' HD13 ' A' ' 31' ' ' ILE . . . -100.0 -58.72 1.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 0.793 . . . . 0.0 109.316 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.765 ' N ' HD13 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -79.27 1.0 2.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.551 1.157 . . . . 0.0 109.226 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.401 ' CG1' ' O ' ' A' ' 31' ' ' ILE . 17.3 mt -153.67 130.81 2.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.36 -33.32 5.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.621 ' O ' HD22 ' A' ' 34' ' ' LEU . 0.2 OUTLIER -79.68 -57.26 3.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.378 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.608 ' HG2' HD13 ' A' ' 34' ' ' LEU . 4.0 mtt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.944 -179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.432 ' HB3' ' ND2' ' A' ' 27' ' ' ASN . 0.5 OUTLIER -75.51 -82.77 0.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 0.781 . . . . 0.0 110.014 179.95 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.432 ' ND2' ' HB3' ' A' ' 26' ' ' SER . 0.2 OUTLIER -110.02 -14.48 14.23 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.74 -12.53 55.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -124.79 11.97 7.81 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.573 1.171 . . . . 0.0 110.967 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -120.05 -48.02 2.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.778 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.459 ' CG2' ' O ' ' A' ' 31' ' ' ILE . 1.5 mt -73.22 -4.37 5.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.538 1.148 . . . . 0.0 109.361 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.629 ' N ' HD12 ' A' ' 32' ' ' ILE . 1.0 OUTLIER -141.73 134.12 28.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.978 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 98.31 -34.8 4.99 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.821 HD22 ' C ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -77.67 -57.71 3.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 0.729 . . . . 0.0 109.275 -179.965 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.696 ' HG2' HD13 ' A' ' 34' ' ' LEU . 2.4 ptm . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 110.999 -179.967 . . . . . . . . 1 1 . 1 stop_ save_