data_1k43_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 1k43 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.277 -0.638 . . . . 99.989999999999995 109.277 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.65 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.02 131.85 49.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 107.996 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.497 ' CG2' ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -138.41 132.79 31.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.385 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.427 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 11.3 p90 -172.03 139.68 1.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 111.0 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 2.2 t30 76.45 1.92 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.283 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.08 -7.44 62.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 110.991 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.508 HG22 ' CZ ' ' A' ' 11' ' ' TYR . 3.4 mt -94.4 107.58 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 99.989999999999995 109.318 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.497 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 97.0 m -79.31 137.82 37.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 110.383 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.65 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 49.5 m-85 -132.6 105.43 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.994 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 110.287 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.302 -0.629 . . . . 99.989999999999995 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.619 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.24 133.09 46.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 108.083 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.497 ' CG2' ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -139.58 126.17 20.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.338 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 14.0 p90 -164.96 141.3 5.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 111.066 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 2.6 t30 75.61 2.74 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.27 -7.28 64.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.128 . . . . 99.989999999999995 110.977 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.469 HG22 ' CZ ' ' A' ' 11' ' ' TYR . 10.6 mt -94.47 109.07 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.432 0.724 . . . . 99.989999999999995 109.333 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.497 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 95.7 m -79.21 137.68 37.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.39 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.619 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 51.0 m-85 -133.08 111.51 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 111.015 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.313 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.306 -0.627 . . . . 99.989999999999995 109.306 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.612 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.85 133.09 47.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.177 . . . . 99.989999999999995 107.963 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.504 ' CG2' ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -139.58 121.52 15.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 99.989999999999995 110.393 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . 0.412 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 14.2 p90 -160.27 142.23 12.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 99.989999999999995 111.055 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 75.17 3.12 4.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 109.363 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.78 -7.0 65.03 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 111.023 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.461 HG12 ' CZ ' ' A' ' 11' ' ' TYR . 4.2 tp -94.47 109.62 22.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.52 0.777 . . . . 99.989999999999995 109.342 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.504 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 96.2 m -79.2 137.05 37.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 110.366 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.612 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 38.6 m-85 -133.03 127.95 35.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 99.989999999999995 110.974 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 110.299 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.268 -0.641 . . . . 99.989999999999995 109.268 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.77 130.96 47.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 108.04 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.483 ' CG2' ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -120.9 124.44 44.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 110.414 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -134.98 118.04 16.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 110.966 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.41 19.87 6.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 109.306 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.69 1.67 73.6 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 111.043 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.541 HG23 ' CE2' ' A' ' 11' ' ' TYR . 18.6 mt -93.39 108.54 20.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.453 0.737 . . . . 99.989999999999995 109.285 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.483 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 21.6 m -78.37 133.48 37.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.441 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 5.1 m-85 -135.01 100.76 4.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 110.964 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 110.301 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.431 ' CD ' ' HG3' ' A' ' 12' ' ' GLU . 2.0 ttpm? . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.287 -0.634 . . . . 99.989999999999995 109.287 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.07 131.77 45.91 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.997 -1.112 . . . . 99.989999999999995 107.997 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.482 ' CG2' ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -121.61 124.81 45.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.382 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -135.37 117.8 15.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 111.012 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 70.53 20.23 5.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.302 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.29 1.84 74.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 111.016 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.7 mm -93.37 108.72 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 0.782 . . . . 99.989999999999995 109.315 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.482 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 27.8 m -78.49 133.42 37.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.413 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 4.8 m-85 -134.97 100.52 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 111.04 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.431 ' HG3' ' CD ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 110.311 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.463 ' HG2' ' CG ' ' A' ' 12' ' ' GLU . 14.3 mtmt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.267 -0.642 . . . . 99.989999999999995 109.267 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.562 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -131.54 132.34 44.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 107.993 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.479 ' CG2' ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -122.41 124.64 44.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.426 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -135.01 117.89 16.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 110.964 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 70.24 20.36 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 99.989999999999995 109.293 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.29 1.91 74.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 110.995 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.3 mt -93.28 108.2 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 99.989999999999995 109.333 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.479 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 19.9 m -78.51 133.29 37.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.402 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.562 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 5.2 m-85 -134.38 98.13 4.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.999 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.463 ' CG ' ' HG2' ' A' ' 3' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 110.252 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.466 ' HG2' ' CG ' ' A' ' 12' ' ' GLU . 12.0 mttp . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.237 -0.653 . . . . 99.989999999999995 109.237 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.568 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.37 131.74 45.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 99.989999999999995 107.969 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.481 ' CG2' ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -121.31 124.69 45.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 110.402 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -134.86 118.77 17.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 111.048 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 69.65 20.34 7.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.308 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.12 1.72 75.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 111.002 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.3 mm -93.33 109.5 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 99.989999999999995 109.275 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.481 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 35.2 m -78.35 134.26 37.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.416 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 4.1 m-85 -135.8 100.52 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 110.929 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.466 ' CG ' ' HG2' ' A' ' 3' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 110.274 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 mttt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.381 -0.599 . . . . 99.989999999999995 109.381 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -124.74 116.22 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 108.063 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -116.29 123.78 48.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.592 1.182 . . . . 99.989999999999995 110.387 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -137.21 116.23 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 111.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 73.16 18.9 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 99.989999999999995 109.279 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.39 1.1 72.27 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.563 1.165 . . . . 99.989999999999995 110.977 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.518 HG23 ' CZ ' ' A' ' 11' ' ' TYR . 4.1 mm -93.22 108.49 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.425 0.721 . . . . 99.989999999999995 109.375 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.465 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 35.4 m -78.12 134.22 37.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 110.432 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.518 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 14.9 m-85 -147.7 119.17 7.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 111.029 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 110.257 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.437 ' CE ' HG22 ' A' ' 10' ' ' THR . 7.4 tttt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.32 -0.622 . . . . 99.989999999999995 109.32 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.566 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.62 132.16 45.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 107.997 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.479 ' CG2' ' HA ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -121.64 124.69 44.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 110.384 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -134.89 119.82 18.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 99.989999999999995 111.022 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.3 t30 68.87 20.27 8.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.319 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.96 1.97 75.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.945 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.2 mm -93.44 110.15 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 99.989999999999995 109.321 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.479 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 75.8 m -78.3 134.58 37.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.367 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 4.4 m-85 -136.19 100.53 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 111.012 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 110.301 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.325 -0.62 . . . . 99.989999999999995 109.325 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TRP . . . . . 0.574 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -132.43 133.25 43.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.948 -1.13 . . . . 99.989999999999995 107.948 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.48 ' CG2' ' HA ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -122.97 125.79 45.96 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 110.403 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -136.29 119.3 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 111.035 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 69.41 20.2 7.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 99.989999999999995 109.315 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.96 1.98 75.56 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 111.004 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.485 HG21 ' CE2' ' A' ' 11' ' ' TYR . 18.9 mm -93.39 109.68 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 99.989999999999995 109.331 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.48 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 62.0 m -78.75 134.23 37.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 110.375 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 5.9 m-85 -135.64 98.82 4.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 110.971 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 99.989999999999995 110.256 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.321 -0.251 . . . . 99.989999999999995 110.321 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.79 -79.86 0.13 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.527 1.142 . . . . 99.989999999999995 111.039 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -154.63 136.81 14.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.746 . . . . 99.989999999999995 109.277 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.65 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.02 131.85 49.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 99.989999999999995 107.996 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.497 ' CG2' ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -138.41 132.79 31.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 99.989999999999995 110.385 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.427 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 11.3 p90 -172.03 139.68 1.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 99.989999999999995 111.0 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 2.2 t30 76.45 1.92 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 99.989999999999995 109.283 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.08 -7.44 62.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 110.991 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.508 HG22 ' CZ ' ' A' ' 11' ' ' TYR . 3.4 mt -94.4 107.58 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 99.989999999999995 109.318 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.497 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 97.0 m -79.31 137.82 37.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 110.383 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.65 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 49.5 m-85 -132.6 105.43 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.994 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.08 68.22 1.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 99.989999999999995 110.287 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.76 -67.09 1.68 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.134 . . . . 99.989999999999995 110.996 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.509 0.77 . . . . 99.989999999999995 110.324 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.282 -0.266 . . . . 99.989999999999995 110.282 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.44 52.4 0.99 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 111.021 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -179.96 136.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 99.989999999999995 109.302 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.619 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.24 133.09 46.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 99.989999999999995 108.083 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.497 ' CG2' ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -139.58 126.17 20.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.338 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 14.0 p90 -164.96 141.3 5.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 111.066 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 2.6 t30 75.61 2.74 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 99.989999999999995 109.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.27 -7.28 64.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.128 . . . . 99.989999999999995 110.977 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.469 HG22 ' CZ ' ' A' ' 11' ' ' TYR . 10.6 mt -94.47 109.07 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.432 0.724 . . . . 99.989999999999995 109.333 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.497 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 95.7 m -79.21 137.68 37.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 99.989999999999995 110.39 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.619 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 51.0 m-85 -133.08 111.51 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 111.015 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -102.8 69.21 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.52 -70.2 0.86 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.993 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 99.989999999999995 110.273 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 110.333 -0.247 . . . . 99.989999999999995 110.333 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.19 -139.94 3.83 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.446 1.091 . . . . 99.989999999999995 110.953 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -174.58 137.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 0.724 . . . . 99.989999999999995 109.306 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.612 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.85 133.09 47.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.177 . . . . 99.989999999999995 107.963 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.504 ' CG2' ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -139.58 121.52 15.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 99.989999999999995 110.393 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.412 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 14.2 p90 -160.27 142.23 12.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 99.989999999999995 111.055 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 75.17 3.12 4.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 99.989999999999995 109.363 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.78 -7.0 65.03 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 111.023 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.461 HG12 ' CZ ' ' A' ' 11' ' ' TYR . 4.2 tp -94.47 109.62 22.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.52 0.777 . . . . 99.989999999999995 109.342 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.504 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 96.2 m -79.2 137.05 37.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 110.366 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.612 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 38.6 m-85 -133.03 127.95 35.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 99.989999999999995 110.974 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -117.42 78.9 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 99.989999999999995 110.299 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -37.6 -84.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.554 1.159 . . . . 99.989999999999995 110.955 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 99.989999999999995 110.269 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.32 -0.252 . . . . 99.989999999999995 110.32 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.9 58.46 0.03 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 99.989999999999995 110.98 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -157.43 136.01 11.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 0.804 . . . . 99.989999999999995 109.268 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.77 130.96 47.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 99.989999999999995 108.04 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.483 ' CG2' ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -120.9 124.44 44.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 99.989999999999995 110.414 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -134.98 118.04 16.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 99.989999999999995 110.966 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.41 19.87 6.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 99.989999999999995 109.306 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.69 1.67 73.6 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.473 1.108 . . . . 99.989999999999995 111.043 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.541 HG23 ' CE2' ' A' ' 11' ' ' TYR . 18.6 mt -93.39 108.54 20.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.453 0.737 . . . . 99.989999999999995 109.285 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.483 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 21.6 m -78.37 133.48 37.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 99.989999999999995 110.441 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 5.1 m-85 -135.01 100.76 4.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 110.964 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -88.15 81.64 7.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 99.989999999999995 110.301 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.96 -65.38 1.07 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 99.989999999999995 111.019 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.56 0.8 . . . . 99.989999999999995 110.349 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.258 -0.275 . . . . 99.989999999999995 110.258 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -38.88 102.76 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.981 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.431 ' CD ' ' HG3' ' A' ' 12' ' ' GLU . 2.0 ttpm? -139.69 135.66 33.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 99.989999999999995 109.287 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.07 131.77 45.91 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.997 -1.112 . . . . 99.989999999999995 107.997 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.482 ' CG2' ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -121.61 124.81 45.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 99.989999999999995 110.382 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -135.37 117.8 15.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 99.989999999999995 111.012 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 70.53 20.23 5.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 99.989999999999995 109.302 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.29 1.84 74.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 99.989999999999995 111.016 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.7 mm -93.37 108.72 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 0.782 . . . . 99.989999999999995 109.315 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.482 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 27.8 m -78.49 133.42 37.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.413 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 4.8 m-85 -134.97 100.52 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 111.04 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.431 ' HG3' ' CD ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -88.15 81.8 7.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 99.989999999999995 110.311 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.81 -64.91 3.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 110.945 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 99.989999999999995 110.296 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.362 -0.236 . . . . 99.989999999999995 110.362 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.97 -60.51 0.17 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.521 1.138 . . . . 99.989999999999995 110.988 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.463 ' HG2' ' CG ' ' A' ' 12' ' ' GLU . 14.3 mtmt -133.23 131.78 40.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.747 . . . . 99.989999999999995 109.267 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.562 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -131.54 132.34 44.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 99.989999999999995 107.993 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.479 ' CG2' ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -122.41 124.64 44.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 99.989999999999995 110.426 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -135.01 117.89 16.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 99.989999999999995 110.964 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 70.24 20.36 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 99.989999999999995 109.293 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.29 1.91 74.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.421 1.076 . . . . 99.989999999999995 110.995 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.3 mt -93.28 108.2 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 99.989999999999995 109.333 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.479 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 19.9 m -78.51 133.29 37.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 99.989999999999995 110.402 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.562 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 5.2 m-85 -134.38 98.13 4.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 99.989999999999995 110.999 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.463 ' CG ' ' HG2' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -85.57 80.91 8.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 99.989999999999995 110.252 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.92 -82.66 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 111.028 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.583 0.814 . . . . 99.989999999999995 110.331 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.364 -0.236 . . . . 99.989999999999995 110.364 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.41 -134.31 11.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 99.989999999999995 110.995 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.466 ' HG2' ' CG ' ' A' ' 12' ' ' GLU . 12.0 mttp -136.2 132.75 36.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 99.989999999999995 109.237 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.568 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.37 131.74 45.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 99.989999999999995 107.969 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.481 ' CG2' ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -121.31 124.69 45.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 99.989999999999995 110.402 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -134.86 118.77 17.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 99.989999999999995 111.048 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 69.65 20.34 7.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 99.989999999999995 109.308 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.12 1.72 75.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 111.002 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.3 mm -93.33 109.5 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 99.989999999999995 109.275 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.481 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 35.2 m -78.35 134.26 37.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 110.416 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 4.1 m-85 -135.8 100.52 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 110.929 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.466 ' CG ' ' HG2' ' A' ' 3' ' ' LYS . 0.8 OUTLIER -88.06 82.3 7.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 99.989999999999995 110.274 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -37.86 -70.36 0.27 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 99.989999999999995 111.019 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.489 0.758 . . . . 99.989999999999995 110.322 179.878 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.8 ptt-85 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.336 -0.246 . . . . 99.989999999999995 110.336 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -145.83 58.96 0.5 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.45 1.094 . . . . 99.989999999999995 110.937 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -178.73 132.65 0.13 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 0.775 . . . . 99.989999999999995 109.381 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -124.74 116.22 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 108.063 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.465 ' CG2' ' HA ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -116.29 123.78 48.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.592 1.182 . . . . 99.989999999999995 110.387 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -137.21 116.23 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 111.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 73.16 18.9 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 99.989999999999995 109.279 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.39 1.1 72.27 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.563 1.165 . . . . 99.989999999999995 110.977 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.518 HG23 ' CZ ' ' A' ' 11' ' ' TYR . 4.1 mm -93.22 108.49 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.425 0.721 . . . . 99.989999999999995 109.375 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.465 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 35.4 m -78.12 134.22 37.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 99.989999999999995 110.432 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.518 ' CZ ' HG23 ' A' ' 9' ' ' ILE . 14.9 m-85 -147.7 119.17 7.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 99.989999999999995 111.029 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -68.13 65.67 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 99.989999999999995 110.257 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -50.05 -61.87 5.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 99.989999999999995 111.024 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 99.989999999999995 110.265 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.337 -0.245 . . . . 99.989999999999995 110.337 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.08 -53.83 0.05 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 99.989999999999995 111.077 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.437 ' CE ' HG22 ' A' ' 10' ' ' THR . 7.4 tttt -135.0 132.69 38.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 0.727 . . . . 99.989999999999995 109.32 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.566 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.62 132.16 45.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 99.989999999999995 107.997 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.479 ' CG2' ' HA ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -121.64 124.69 44.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 99.989999999999995 110.384 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -134.89 119.82 18.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 99.989999999999995 111.022 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.3 t30 68.87 20.27 8.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 99.989999999999995 109.319 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.96 1.97 75.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.537 1.148 . . . . 99.989999999999995 110.945 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.2 mm -93.44 110.15 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 99.989999999999995 109.321 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.479 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 75.8 m -78.3 134.58 37.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 99.989999999999995 110.367 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 4.4 m-85 -136.19 100.53 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 99.989999999999995 111.012 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -88.4 82.56 6.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 99.989999999999995 110.301 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -39.02 -60.09 1.62 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 99.989999999999995 111.047 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 99.989999999999995 110.292 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.361 -0.237 . . . . 99.989999999999995 110.361 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.69 128.94 0.01 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.493 1.121 . . . . 99.989999999999995 110.991 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -160.37 134.91 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 99.989999999999995 109.325 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TRP . . . . . 0.574 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -132.43 133.25 43.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.948 -1.13 . . . . 99.989999999999995 107.948 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.48 ' CG2' ' HA ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -122.97 125.79 45.96 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 99.989999999999995 110.403 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -136.29 119.3 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 99.989999999999995 111.035 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 69.41 20.2 7.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 99.989999999999995 109.315 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.96 1.98 75.56 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.126 . . . . 99.989999999999995 111.004 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.485 HG21 ' CE2' ' A' ' 11' ' ' TYR . 18.9 mm -93.39 109.68 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 99.989999999999995 109.331 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.48 ' HA ' ' CG2' ' A' ' 5' ' ' THR . 62.0 m -78.75 134.23 37.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 99.989999999999995 110.375 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 5.9 m-85 -135.64 98.82 4.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.082 . . . . 99.989999999999995 110.971 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -86.67 79.92 8.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 99.989999999999995 110.256 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.9 -105.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.523 1.139 . . . . 99.989999999999995 110.975 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.546 0.792 . . . . 99.989999999999995 110.25 -179.884 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.65 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.02 131.85 49.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 107.996 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.902 HG23 ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -138.41 132.79 31.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.427 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 11.3 p90 -172.03 139.68 1.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 2.2 t30 76.45 1.92 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.08 -7.44 62.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mt -94.4 107.58 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.902 ' HA ' HG23 ' A' ' 5' ' ' THR . 97.0 m -79.31 137.82 37.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.383 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.65 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 49.5 m-85 -132.6 105.43 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.619 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.24 133.09 46.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.083 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.907 HG23 ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -139.58 126.17 20.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 14.0 p90 -164.96 141.3 5.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.066 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 2.6 t30 75.61 2.74 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.27 -7.28 64.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.128 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 mt -94.47 109.07 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.432 0.724 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.907 ' HA ' HG23 ' A' ' 5' ' ' THR . 95.7 m -79.21 137.68 37.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.619 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 51.0 m-85 -133.08 111.51 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.612 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.85 133.09 47.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.177 . . . . 0.0 107.963 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.934 HG23 ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -139.58 121.52 15.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 110.393 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . 0.547 ' O ' HG22 ' A' ' 9' ' ' ILE . 14.2 p90 -160.27 142.23 12.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 111.055 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 75.17 3.12 4.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 109.363 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.78 -7.0 65.03 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 6' ' ' TYR . 4.2 tp -94.47 109.62 22.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.52 0.777 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.934 ' HA ' HG23 ' A' ' 5' ' ' THR . 96.2 m -79.2 137.05 37.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.366 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.612 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 38.6 m-85 -133.03 127.95 35.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.77 130.96 47.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 108.04 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.553 HG23 HG23 ' A' ' 10' ' ' THR . 0.2 OUTLIER -120.9 124.44 44.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -134.98 118.04 16.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.41 19.87 6.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.69 1.67 73.6 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 5' ' ' THR . 18.6 mt -93.39 108.54 20.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.453 0.737 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.553 HG23 HG23 ' A' ' 5' ' ' THR . 21.6 m -78.37 133.48 37.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.441 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 5.1 m-85 -135.01 100.76 4.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.432 ' CD ' ' HG3' ' A' ' 12' ' ' GLU . 2.0 ttpm? . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.07 131.77 45.91 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.494 HG22 ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -121.61 124.81 45.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -135.37 117.8 15.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 70.53 20.23 5.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.29 1.84 74.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' THR . 32.7 mm -93.37 108.72 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 0.782 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.494 ' HA ' HG22 ' A' ' 5' ' ' THR . 27.8 m -78.49 133.42 37.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.413 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 4.8 m-85 -134.97 100.52 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.432 ' HG3' ' CD ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 12' ' ' GLU . 14.3 mtmt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.562 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -131.54 132.34 44.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 107.993 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.564 HG23 HG23 ' A' ' 10' ' ' THR . 0.2 OUTLIER -122.41 124.64 44.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.426 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -135.01 117.89 16.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 70.24 20.36 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.293 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.29 1.91 74.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.421 1.076 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.3 mt -93.28 108.2 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.564 HG23 HG23 ' A' ' 5' ' ' THR . 19.9 m -78.51 133.29 37.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.562 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 5.2 m-85 -134.38 98.13 4.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 3' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.252 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.467 ' HG2' ' CG ' ' A' ' 12' ' ' GLU . 12.0 mttp . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.568 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.37 131.74 45.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 107.969 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.5 HG22 ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -121.31 124.69 45.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.402 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -134.86 118.77 17.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 69.65 20.34 7.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.12 1.72 75.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.565 1.166 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 5' ' ' THR . 7.3 mm -93.33 109.5 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.5 ' HA ' HG22 ' A' ' 5' ' ' THR . 35.2 m -78.35 134.26 37.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 4.1 m-85 -135.8 100.52 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.929 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.467 ' CG ' ' HG2' ' A' ' 3' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.274 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 mttt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -124.74 116.22 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 108.063 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.482 HG23 HG23 ' A' ' 10' ' ' THR . 0.1 OUTLIER -116.29 123.78 48.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.592 1.182 . . . . 0.0 110.387 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -137.21 116.23 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 73.16 18.9 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.39 1.1 72.27 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.563 1.165 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.546 HG22 ' CZ ' ' A' ' 11' ' ' TYR . 4.1 mm -93.22 108.49 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.425 0.721 . . . . 0.0 109.375 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.482 HG23 HG23 ' A' ' 5' ' ' THR . 35.4 m -78.12 134.22 37.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 14.9 m-85 -147.7 119.17 7.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.413 ' CE ' HG23 ' A' ' 10' ' ' THR . 7.4 tttt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.62 132.16 45.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 107.997 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -121.64 124.69 44.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -134.89 119.82 18.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.3 t30 68.87 20.27 8.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.96 1.97 75.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.537 1.148 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 5' ' ' THR . 20.2 mm -93.44 110.15 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.486 ' HA ' HG22 ' A' ' 5' ' ' THR . 75.8 m -78.3 134.58 37.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 4.4 m-85 -136.19 100.53 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TRP . . . . . 0.574 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -132.43 133.25 43.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.476 HG22 ' HA ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -122.97 125.79 45.96 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -136.29 119.3 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 69.41 20.2 7.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.96 1.98 75.56 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 5' ' ' THR . 18.9 mm -93.39 109.68 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.476 ' HA ' HG22 ' A' ' 5' ' ' THR . 62.0 m -78.75 134.23 37.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 5.9 m-85 -135.64 98.82 4.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.082 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 110.256 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.79 -79.86 0.13 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -154.63 136.81 14.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.746 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.65 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.02 131.85 49.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 107.996 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.902 HG23 ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -138.41 132.79 31.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.427 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 11.3 p90 -172.03 139.68 1.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 2.2 t30 76.45 1.92 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.08 -7.44 62.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mt -94.4 107.58 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.902 ' HA ' HG23 ' A' ' 5' ' ' THR . 97.0 m -79.31 137.82 37.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.383 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.65 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 49.5 m-85 -132.6 105.43 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.08 68.22 1.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.76 -67.09 1.68 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.509 0.77 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.44 52.4 0.99 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -179.96 136.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.619 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.24 133.09 46.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.083 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.907 HG23 ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -139.58 126.17 20.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 14.0 p90 -164.96 141.3 5.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.066 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 2.6 t30 75.61 2.74 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.27 -7.28 64.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.128 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 mt -94.47 109.07 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.432 0.724 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.907 ' HA ' HG23 ' A' ' 5' ' ' THR . 95.7 m -79.21 137.68 37.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.619 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 51.0 m-85 -133.08 111.51 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -102.8 69.21 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.52 -70.2 0.86 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.19 -139.94 3.83 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.446 1.091 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -174.58 137.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 0.724 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.612 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.85 133.09 47.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.177 . . . . 0.0 107.963 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.934 HG23 ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -139.58 121.52 15.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 110.393 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.547 ' O ' HG22 ' A' ' 9' ' ' ILE . 14.2 p90 -160.27 142.23 12.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 111.055 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 75.17 3.12 4.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 109.363 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.78 -7.0 65.03 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 6' ' ' TYR . 4.2 tp -94.47 109.62 22.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.52 0.777 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.934 ' HA ' HG23 ' A' ' 5' ' ' THR . 96.2 m -79.2 137.05 37.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.366 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.612 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 38.6 m-85 -133.03 127.95 35.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -117.42 78.9 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -37.6 -84.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.554 1.159 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 110.269 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.9 58.46 0.03 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -157.43 136.01 11.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 0.804 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.77 130.96 47.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 108.04 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.553 HG23 HG23 ' A' ' 10' ' ' THR . 0.2 OUTLIER -120.9 124.44 44.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -134.98 118.04 16.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.41 19.87 6.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.69 1.67 73.6 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 5' ' ' THR . 18.6 mt -93.39 108.54 20.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.453 0.737 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.553 HG23 HG23 ' A' ' 5' ' ' THR . 21.6 m -78.37 133.48 37.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.441 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 5.1 m-85 -135.01 100.76 4.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -88.15 81.64 7.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.96 -65.38 1.07 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.56 0.8 . . . . 0.0 110.349 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -38.88 102.76 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.432 ' CD ' ' HG3' ' A' ' 12' ' ' GLU . 2.0 ttpm? -139.69 135.66 33.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.07 131.77 45.91 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.494 HG22 ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -121.61 124.81 45.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -135.37 117.8 15.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 70.53 20.23 5.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.29 1.84 74.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' THR . 32.7 mm -93.37 108.72 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 0.782 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.494 ' HA ' HG22 ' A' ' 5' ' ' THR . 27.8 m -78.49 133.42 37.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.413 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 4.8 m-85 -134.97 100.52 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.432 ' HG3' ' CD ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -88.15 81.8 7.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.81 -64.91 3.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.561 1.163 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 110.296 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.97 -60.51 0.17 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 12' ' ' GLU . 14.3 mtmt -133.23 131.78 40.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.747 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.562 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -131.54 132.34 44.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 107.993 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.564 HG23 HG23 ' A' ' 10' ' ' THR . 0.2 OUTLIER -122.41 124.64 44.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.426 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -135.01 117.89 16.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 70.24 20.36 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.293 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.29 1.91 74.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.421 1.076 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.3 mt -93.28 108.2 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.564 HG23 HG23 ' A' ' 5' ' ' THR . 19.9 m -78.51 133.29 37.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.562 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 5.2 m-85 -134.38 98.13 4.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -85.57 80.91 8.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.252 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.92 -82.66 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.583 0.814 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.41 -134.31 11.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.467 ' HG2' ' CG ' ' A' ' 12' ' ' GLU . 12.0 mttp -136.2 132.75 36.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.237 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.568 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.37 131.74 45.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 107.969 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.5 HG22 ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -121.31 124.69 45.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.402 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -134.86 118.77 17.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 69.65 20.34 7.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.12 1.72 75.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.565 1.166 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 5' ' ' THR . 7.3 mm -93.33 109.5 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.5 ' HA ' HG22 ' A' ' 5' ' ' THR . 35.2 m -78.35 134.26 37.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 4.1 m-85 -135.8 100.52 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.929 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.467 ' CG ' ' HG2' ' A' ' 3' ' ' LYS . 0.8 OUTLIER -88.06 82.3 7.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.274 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -37.86 -70.36 0.27 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.489 0.758 . . . . 0.0 110.322 179.878 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.8 ptt-85 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -145.83 58.96 0.5 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.45 1.094 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -178.73 132.65 0.13 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 0.775 . . . . 0.0 109.381 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -124.74 116.22 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 108.063 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.482 HG23 HG23 ' A' ' 10' ' ' THR . 0.1 OUTLIER -116.29 123.78 48.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.592 1.182 . . . . 0.0 110.387 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -137.21 116.23 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 73.16 18.9 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.39 1.1 72.27 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.563 1.165 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.546 HG22 ' CZ ' ' A' ' 11' ' ' TYR . 4.1 mm -93.22 108.49 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.425 0.721 . . . . 0.0 109.375 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.482 HG23 HG23 ' A' ' 5' ' ' THR . 35.4 m -78.12 134.22 37.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 14.9 m-85 -147.7 119.17 7.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -68.13 65.67 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -50.05 -61.87 5.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.265 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.08 -53.83 0.05 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.077 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' CE ' HG23 ' A' ' 10' ' ' THR . 7.4 tttt -135.0 132.69 38.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 0.727 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.62 132.16 45.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 107.997 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -121.64 124.69 44.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -134.89 119.82 18.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.3 t30 68.87 20.27 8.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.96 1.97 75.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.537 1.148 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 5' ' ' THR . 20.2 mm -93.44 110.15 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.486 ' HA ' HG22 ' A' ' 5' ' ' THR . 75.8 m -78.3 134.58 37.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 4.4 m-85 -136.19 100.53 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -88.4 82.56 6.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -39.02 -60.09 1.62 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.69 128.94 0.01 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -160.37 134.91 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 109.325 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TRP . . . . . 0.574 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -132.43 133.25 43.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.476 HG22 ' HA ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -122.97 125.79 45.96 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -136.29 119.3 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 69.41 20.2 7.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.96 1.98 75.56 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 5' ' ' THR . 18.9 mm -93.39 109.68 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.476 ' HA ' HG22 ' A' ' 5' ' ' THR . 62.0 m -78.75 134.23 37.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 5.9 m-85 -135.64 98.82 4.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.082 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -86.67 79.92 8.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.9 -105.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.546 0.792 . . . . 0.0 110.25 -179.884 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.65 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.02 131.85 49.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 107.996 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.902 HG23 ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -138.41 132.79 31.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.427 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 11.3 p90 -172.03 139.68 1.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 2.2 t30 76.45 1.92 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.08 -7.44 62.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mt -94.4 107.58 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.902 ' HA ' HG23 ' A' ' 5' ' ' THR . 97.0 m -79.31 137.82 37.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.383 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.65 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 49.5 m-85 -132.6 105.43 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.619 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.24 133.09 46.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.083 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.907 HG23 ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -139.58 126.17 20.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 14.0 p90 -164.96 141.3 5.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.066 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 2.6 t30 75.61 2.74 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.27 -7.28 64.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.128 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 mt -94.47 109.07 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.432 0.724 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.907 ' HA ' HG23 ' A' ' 5' ' ' THR . 95.7 m -79.21 137.68 37.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.619 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 51.0 m-85 -133.08 111.51 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.612 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.85 133.09 47.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.177 . . . . 0.0 107.963 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.934 HG23 ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -139.58 121.52 15.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 110.393 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . 0.547 ' O ' HG22 ' A' ' 9' ' ' ILE . 14.2 p90 -160.27 142.23 12.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 111.055 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 75.17 3.12 4.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 109.363 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.78 -7.0 65.03 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 6' ' ' TYR . 4.2 tp -94.47 109.62 22.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.52 0.777 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.934 ' HA ' HG23 ' A' ' 5' ' ' THR . 96.2 m -79.2 137.05 37.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.366 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.612 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 38.6 m-85 -133.03 127.95 35.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.77 130.96 47.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 108.04 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.553 HG23 HG23 ' A' ' 10' ' ' THR . 0.2 OUTLIER -120.9 124.44 44.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -134.98 118.04 16.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.41 19.87 6.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.69 1.67 73.6 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 5' ' ' THR . 18.6 mt -93.39 108.54 20.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.453 0.737 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.553 HG23 HG23 ' A' ' 5' ' ' THR . 21.6 m -78.37 133.48 37.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.441 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 5.1 m-85 -135.01 100.76 4.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.432 ' CD ' ' HG3' ' A' ' 12' ' ' GLU . 2.0 ttpm? . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.07 131.77 45.91 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.494 HG22 ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -121.61 124.81 45.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -135.37 117.8 15.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 70.53 20.23 5.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.29 1.84 74.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' THR . 32.7 mm -93.37 108.72 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 0.782 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.494 ' HA ' HG22 ' A' ' 5' ' ' THR . 27.8 m -78.49 133.42 37.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.413 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 4.8 m-85 -134.97 100.52 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.432 ' HG3' ' CD ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 12' ' ' GLU . 14.3 mtmt . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.562 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -131.54 132.34 44.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 107.993 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.564 HG23 HG23 ' A' ' 10' ' ' THR . 0.2 OUTLIER -122.41 124.64 44.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.426 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -135.01 117.89 16.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 70.24 20.36 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.293 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.29 1.91 74.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.421 1.076 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.3 mt -93.28 108.2 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.564 HG23 HG23 ' A' ' 5' ' ' THR . 19.9 m -78.51 133.29 37.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.562 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 5.2 m-85 -134.38 98.13 4.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 3' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.252 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.467 ' HG2' ' CG ' ' A' ' 12' ' ' GLU . 12.0 mttp . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.568 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.37 131.74 45.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 107.969 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.5 HG22 ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -121.31 124.69 45.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.402 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -134.86 118.77 17.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 69.65 20.34 7.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.12 1.72 75.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.565 1.166 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 5' ' ' THR . 7.3 mm -93.33 109.5 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.5 ' HA ' HG22 ' A' ' 5' ' ' THR . 35.2 m -78.35 134.26 37.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 4.1 m-85 -135.8 100.52 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.929 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.467 ' CG ' ' HG2' ' A' ' 3' ' ' LYS . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.274 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 mttt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.381 -0.599 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -124.74 116.22 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 108.063 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.482 HG23 HG23 ' A' ' 10' ' ' THR . 0.1 OUTLIER -116.29 123.78 48.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.592 1.182 . . . . 0.0 110.387 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -137.21 116.23 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 73.16 18.9 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.39 1.1 72.27 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.563 1.165 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.546 HG22 ' CZ ' ' A' ' 11' ' ' TYR . 4.1 mm -93.22 108.49 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.425 0.721 . . . . 0.0 109.375 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.482 HG23 HG23 ' A' ' 5' ' ' THR . 35.4 m -78.12 134.22 37.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 14.9 m-85 -147.7 119.17 7.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.413 ' CE ' HG23 ' A' ' 10' ' ' THR . 7.4 tttt . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.62 132.16 45.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 107.997 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -121.64 124.69 44.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -134.89 119.82 18.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.3 t30 68.87 20.27 8.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.96 1.97 75.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.537 1.148 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 5' ' ' THR . 20.2 mm -93.44 110.15 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.486 ' HA ' HG22 ' A' ' 5' ' ' THR . 75.8 m -78.3 134.58 37.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 4.4 m-85 -136.19 100.53 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TRP . . . . . 0.574 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -132.43 133.25 43.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.476 HG22 ' HA ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -122.97 125.79 45.96 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -136.29 119.3 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 69.41 20.2 7.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.96 1.98 75.56 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 5' ' ' THR . 18.9 mm -93.39 109.68 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.476 ' HA ' HG22 ' A' ' 5' ' ' THR . 62.0 m -78.75 134.23 37.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 5.9 m-85 -135.64 98.82 4.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.082 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 110.256 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 17.1 ptt180 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 66.79 -79.86 0.13 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.527 1.142 . . . . 0.0 111.039 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.3 ttmt -154.63 136.81 14.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.746 . . . . 0.0 109.277 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.65 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.02 131.85 49.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 107.996 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.902 HG23 ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -138.41 132.79 31.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.385 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.427 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 11.3 p90 -172.03 139.68 1.13 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 2.2 t30 76.45 1.92 3.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.283 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.08 -7.44 62.45 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.512 1.132 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.4 mt -94.4 107.58 19.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.516 0.774 . . . . 0.0 109.318 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.902 ' HA ' HG23 ' A' ' 5' ' ' THR . 97.0 m -79.31 137.82 37.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.383 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.65 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 49.5 m-85 -132.6 105.43 7.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -98.08 68.22 1.96 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.76 -67.09 1.68 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.514 1.134 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.509 0.77 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 102.44 52.4 0.99 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -179.96 136.62 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.302 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.619 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.24 133.09 46.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 108.083 179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.907 HG23 ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -139.58 126.17 20.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.338 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 14.0 p90 -164.96 141.3 5.72 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 111.066 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.415 ' CB ' ' O ' ' A' ' 6' ' ' TYR . 2.6 t30 75.61 2.74 3.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.27 -7.28 64.05 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.506 1.128 . . . . 0.0 110.977 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.6 mt -94.47 109.07 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.432 0.724 . . . . 0.0 109.333 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.907 ' HA ' HG23 ' A' ' 5' ' ' THR . 95.7 m -79.21 137.68 37.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.454 1.096 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.619 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 51.0 m-85 -133.08 111.51 11.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -102.8 69.21 1.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.52 -70.2 0.86 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.526 1.141 . . . . 0.0 110.993 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 110.273 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.19 -139.94 3.83 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.446 1.091 . . . . 0.0 110.953 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -174.58 137.05 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.431 0.724 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.612 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.85 133.09 47.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.177 . . . . 0.0 107.963 -179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.934 HG23 ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -139.58 121.52 15.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.074 . . . . 0.0 110.393 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.547 ' O ' HG22 ' A' ' 9' ' ' ILE . 14.2 p90 -160.27 142.23 12.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 111.055 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 75.17 3.12 4.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.433 1.083 . . . . 0.0 109.363 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 96.78 -7.0 65.03 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.5 1.125 . . . . 0.0 111.023 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.547 HG22 ' O ' ' A' ' 6' ' ' TYR . 4.2 tp -94.47 109.62 22.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.52 0.777 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.934 ' HA ' HG23 ' A' ' 5' ' ' THR . 96.2 m -79.2 137.05 37.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 1.164 . . . . 0.0 110.366 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.612 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 38.6 m-85 -133.03 127.95 35.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 110.974 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -117.42 78.9 1.27 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 110.299 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -37.6 -84.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.554 1.159 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.785 . . . . 0.0 110.269 -180.0 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 142.9 58.46 0.03 OUTLIER Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.468 1.105 . . . . 0.0 110.98 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -157.43 136.01 11.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 0.804 . . . . 0.0 109.268 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -128.77 130.96 47.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 108.04 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.553 HG23 HG23 ' A' ' 10' ' ' THR . 0.2 OUTLIER -120.9 124.44 44.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 110.414 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -134.98 118.04 16.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 70.41 19.87 6.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.69 1.67 73.6 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.473 1.108 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 5' ' ' THR . 18.6 mt -93.39 108.54 20.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.453 0.737 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.553 HG23 HG23 ' A' ' 5' ' ' THR . 21.6 m -78.37 133.48 37.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.441 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 5.1 m-85 -135.01 100.76 4.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.485 1.116 . . . . 0.0 110.964 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -88.15 81.64 7.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.301 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -40.96 -65.38 1.07 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.469 1.106 . . . . 0.0 111.019 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.56 0.8 . . . . 0.0 110.349 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 6.0 mtm180 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -38.88 102.76 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.432 ' CD ' ' HG3' ' A' ' 12' ' ' GLU . 2.0 ttpm? -139.69 135.66 33.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 0.757 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.07 131.77 45.91 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.494 HG22 ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -121.61 124.81 45.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -135.37 117.8 15.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 70.53 20.23 5.95 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.29 1.84 74.7 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 111.016 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 5' ' ' THR . 32.7 mm -93.37 108.72 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 0.782 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.494 ' HA ' HG22 ' A' ' 5' ' ' THR . 27.8 m -78.49 133.42 37.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.413 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 4.8 m-85 -134.97 100.52 4.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 111.04 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.432 ' HG3' ' CD ' ' A' ' 3' ' ' LYS . 0.4 OUTLIER -88.15 81.8 7.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.81 -64.91 3.71 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.561 1.163 . . . . 0.0 110.945 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.463 0.743 . . . . 0.0 110.296 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.362 -0.236 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.97 -60.51 0.17 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 12' ' ' GLU . 14.3 mtmt -133.23 131.78 40.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 0.747 . . . . 0.0 109.267 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.562 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -131.54 132.34 44.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 107.993 179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.564 HG23 HG23 ' A' ' 10' ' ' THR . 0.2 OUTLIER -122.41 124.64 44.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 1.141 . . . . 0.0 110.426 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -135.01 117.89 16.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 70.24 20.36 6.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 109.293 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.29 1.91 74.6 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.421 1.076 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.3 mt -93.28 108.2 20.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.333 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.564 HG23 HG23 ' A' ' 5' ' ' THR . 19.9 m -78.51 133.29 37.41 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.562 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 5.2 m-85 -134.38 98.13 4.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.464 ' CG ' ' HG2' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -85.57 80.91 8.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.133 . . . . 0.0 110.252 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -42.92 -82.66 0.02 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.508 1.13 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.583 0.814 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 2.1 ptt85 . . . . . 0 N--CA 1.452 -0.37 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.41 -134.31 11.8 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.467 ' HG2' ' CG ' ' A' ' 12' ' ' GLU . 12.0 mttp -136.2 132.75 36.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.237 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.568 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.37 131.74 45.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.162 . . . . 0.0 107.969 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.5 HG22 ' HA ' ' A' ' 10' ' ' THR . 0.2 OUTLIER -121.31 124.69 45.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 110.402 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -134.86 118.77 17.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.525 1.141 . . . . 0.0 111.048 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 69.65 20.34 7.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.12 1.72 75.45 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.565 1.166 . . . . 0.0 111.002 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 5' ' ' THR . 7.3 mm -93.33 109.5 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.275 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.5 ' HA ' HG22 ' A' ' 5' ' ' THR . 35.2 m -78.35 134.26 37.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.416 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 4.1 m-85 -135.8 100.52 4.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.929 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.467 ' CG ' ' HG2' ' A' ' 3' ' ' LYS . 0.8 OUTLIER -88.06 82.3 7.22 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.274 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -37.86 -70.36 0.27 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.489 0.758 . . . . 0.0 110.322 179.878 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 13.8 ptt-85 . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -145.83 58.96 0.5 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.45 1.094 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -178.73 132.65 0.13 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 0.775 . . . . 0.0 109.381 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.444 ' O ' ' N ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -124.74 116.22 21.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 108.063 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.482 HG23 HG23 ' A' ' 10' ' ' THR . 0.1 OUTLIER -116.29 123.78 48.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.592 1.182 . . . . 0.0 110.387 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -137.21 116.23 12.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.021 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 73.16 18.9 3.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 109.279 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.39 1.1 72.27 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.563 1.165 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.546 HG22 ' CZ ' ' A' ' 11' ' ' TYR . 4.1 mm -93.22 108.49 20.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.425 0.721 . . . . 0.0 109.375 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.482 HG23 HG23 ' A' ' 5' ' ' THR . 35.4 m -78.12 134.22 37.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.546 ' CZ ' HG22 ' A' ' 9' ' ' ILE . 14.9 m-85 -147.7 119.17 7.9 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 0.0 111.029 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -68.13 65.67 0.1 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.488 1.117 . . . . 0.0 110.257 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 11' ' ' TYR . . . -50.05 -61.87 5.43 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.46 1.1 . . . . 0.0 111.024 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 24.6 ttm180 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.446 0.733 . . . . 0.0 110.265 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.08 -53.83 0.05 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.5 1.125 . . . . 0.0 111.077 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' CE ' HG23 ' A' ' 10' ' ' THR . 7.4 tttt -135.0 132.69 38.62 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 0.727 . . . . 0.0 109.32 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.566 ' CZ3' ' HB3' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -130.62 132.16 45.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 107.997 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -121.64 124.69 44.91 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 110.384 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -134.89 119.82 18.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 111.022 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 64.3 t30 68.87 20.27 8.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.96 1.97 75.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.537 1.148 . . . . 0.0 110.945 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 5' ' ' THR . 20.2 mm -93.44 110.15 22.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.492 0.76 . . . . 0.0 109.321 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.486 ' HA ' HG22 ' A' ' 5' ' ' THR . 75.8 m -78.3 134.58 37.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.566 ' HB3' ' CZ3' ' A' ' 4' ' ' TRP . 4.4 m-85 -136.19 100.53 4.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -88.4 82.56 6.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -39.02 -60.09 1.62 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.479 1.112 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.494 0.761 . . . . 0.0 110.292 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 45.1 mtt180 . . . . . 0 N--CA 1.451 -0.378 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.69 128.94 0.01 OUTLIER Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 ttmt -160.37 134.91 7.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 109.325 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TRP . . . . . 0.574 ' CE3' ' CB ' ' A' ' 11' ' ' TYR . 0.0 OUTLIER -132.43 133.25 43.65 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.476 HG22 ' HA ' ' A' ' 10' ' ' THR . 0.1 OUTLIER -122.97 125.79 45.96 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.485 1.116 . . . . 0.0 110.403 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -136.29 119.3 16.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 111.035 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 69.41 20.2 7.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 109.315 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.96 1.98 75.56 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.501 1.126 . . . . 0.0 111.004 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.401 ' O ' ' HA ' ' A' ' 5' ' ' THR . 18.9 mm -93.39 109.68 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.476 ' HA ' HG22 ' A' ' 5' ' ' THR . 62.0 m -78.75 134.23 37.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.375 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CB ' ' CE3' ' A' ' 4' ' ' TRP . 5.9 m-85 -135.64 98.82 4.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.082 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -86.67 79.92 8.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.42 1.075 . . . . 0.0 110.256 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.9 -105.0 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.546 0.792 . . . . 0.0 110.25 -179.884 . . . . . . . . 0 0 . 1 stop_ save_