data_2kxo_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 2kxo _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.407 HH21 HG23 ' A' ' 80' ' ' THR . 14.5 mtp180 . . . . . 0 C--O 1.234 0.267 0 CA-C-O 121.041 0.448 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -121.35 150.17 41.86 Favored 'General case' 0 C--O 1.227 -0.091 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.779 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.426 ' CG ' HD22 ' A' ' 78' ' ' ASN . 43.7 ttm180 -137.4 156.2 48.47 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.85 123.8 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.782 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -121.57 95.62 4.75 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.712 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.405 HD11 HG21 ' A' ' 24' ' ' ILE . 80.3 mt -99.16 114.3 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.271 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -103.57 120.34 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.83 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 86.1 mt -107.22 127.45 62.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.315 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.55 93.3 3.81 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.94 0.4 . . . . 0.0 110.007 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.597 ' NE2' ' CD2' ' A' ' 40' ' ' LEU . 18.6 tt0 -92.41 124.2 36.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.573 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -120.07 121.71 39.47 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -126.77 136.04 51.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.937 0.398 . . . . 0.0 110.59 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.969 179.698 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 121.072 0.463 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.597 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 4.0 mm? -65.02 -59.94 9.05 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.751 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.15 -11.86 33.04 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.127 1.885 . . . . 0.0 112.059 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.1 m -75.04 -53.57 8.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.85 0.357 . . . . 0.0 110.962 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.47 -42.11 92.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -59.34 -43.43 92.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.686 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.59 -49.99 75.32 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.464 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.98 -33.5 74.43 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.001 0.429 . . . . 0.0 110.655 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.2 mt -73.22 -40.04 65.02 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.166 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.1 mmt -65.16 -37.58 87.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.841 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -81.6 -41.71 21.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.253 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' TYR . 45.1 t -64.49 -49.19 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.233 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 55' ' ' VAL . 68.1 mt -61.54 -50.6 72.01 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.41 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.0 p -52.86 -28.99 25.47 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.646 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -93.35 -66.08 0.95 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.47 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' VAL . 37.2 m-85 -61.84 -26.89 68.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.314 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 51' ' ' LEU . 38.8 t -121.39 153.13 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.934 0.397 . . . . 0.0 110.629 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -95.37 74.98 3.34 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.418 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.9 m -131.92 129.2 60.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 110.343 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.587 ' C ' ' H ' ' A' ' 60' ' ' ASP . 47.9 t -83.49 142.85 30.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.552 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 4.3 mm? -52.51 -4.19 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.604 0.24 . . . . 0.0 110.575 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.587 ' H ' ' C ' ' A' ' 58' ' ' SER . 97.3 m-20 -84.71 -21.19 30.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -105.12 17.59 23.81 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.6 0.238 . . . . 0.0 110.802 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -95.04 113.75 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -97.44 121.49 39.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.42 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.66 138.56 48.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.462 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 t -153.08 97.26 2.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.24 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -87.26 150.74 23.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.257 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -148.53 102.73 3.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.198 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -98.72 152.1 20.03 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.624 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -163.71 108.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 51.94 -118.04 1.23 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.658 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.25 18.12 54.61 Favored Glycine 0 N--CA 1.467 0.766 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 49.1 ttm -129.78 126.78 38.96 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.016 0.436 . . . . 0.0 110.541 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -124.85 144.97 50.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.887 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.4 t -137.59 117.35 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.53 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.91 112.79 25.99 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.175 0.512 . . . . 0.0 109.985 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -94.5 117.52 30.25 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.293 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tp -123.55 126.05 45.97 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.932 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.426 HD22 ' CG ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -125.92 121.25 32.6 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.867 179.302 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.7 mp -117.71 138.89 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.407 HG23 HH21 ' A' ' 19' ' ' ARG . 2.9 m -106.26 112.26 25.2 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.6 mp -78.45 121.39 83.67 Favored Pre-proline 0 C--O 1.243 0.719 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.189 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo . . . . . 0 N--CA 1.485 1.024 0 C-N-CA 122.027 1.818 . . . . 0.0 112.232 -179.753 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.424 HH21 HG23 ' B' ' 80' ' ' THR . 14.6 mtp180 . . . . . 0 C--O 1.234 0.257 0 CA-C-O 120.949 0.404 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -121.59 149.83 42.57 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.811 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.424 ' CG ' HD22 ' B' ' 78' ' ' ASN . 43.7 ttm180 -136.86 156.15 48.85 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.82 123.75 22.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.83 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -121.47 95.3 4.62 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.885 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.424 HG21 HD11 ' B' ' 24' ' ' ILE . 79.6 mt -98.98 114.08 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.309 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -103.38 120.36 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.928 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.5 mt -107.2 127.62 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.347 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.74 93.32 3.81 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.963 0.411 . . . . 0.0 110.033 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.595 ' NE2' ' CD2' ' B' ' 40' ' ' LEU . 18.4 tt0 -92.57 123.67 36.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.536 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -119.71 121.42 39.19 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -126.43 135.76 51.8 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.526 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.982 179.73 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 120.707 0.289 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.595 ' CD2' ' NE2' ' B' ' 28' ' ' GLN . 3.9 mm? -63.61 -60.71 8.54 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.092 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -66.51 -11.8 33.16 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 122.326 2.017 . . . . 0.0 111.779 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 93.6 m -74.95 -53.71 8.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.923 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.62 -42.12 91.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.63 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -59.42 -43.46 93.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.511 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.59 -49.84 75.93 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.415 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.13 -33.44 74.49 Favored 'General case' 0 CA--C 1.512 -0.519 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.658 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.3 -39.97 64.89 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.133 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 17.2 mmt -65.25 -37.55 87.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.822 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -81.62 -41.61 21.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 43.4 t -64.58 -49.16 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' B' ' 55' ' ' VAL . 69.9 mt -61.46 -50.7 71.73 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.454 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -52.76 -29.17 25.75 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.648 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -93.27 -66.07 0.95 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.885 0.374 . . . . 0.0 111.443 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -61.87 -26.91 68.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.383 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' B' ' 51' ' ' LEU . 38.8 t -121.25 153.32 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 121.011 0.434 . . . . 0.0 110.581 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -95.56 74.92 3.25 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.489 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 4.0 m -131.85 129.37 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.904 0.383 . . . . 0.0 110.364 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.606 ' C ' ' H ' ' B' ' 60' ' ' ASP . 46.8 t -83.5 142.73 30.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.529 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.443 ' CD2' ' N ' ' B' ' 59' ' ' LEU . 4.3 mm? -52.54 -3.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.708 0.29 . . . . 0.0 110.655 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . 0.606 ' H ' ' C ' ' B' ' 58' ' ' SER . 96.9 m-20 -84.94 -21.02 29.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -105.17 17.15 24.54 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.575 0.226 . . . . 0.0 110.755 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -94.77 113.81 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -97.51 121.56 39.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.432 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . 0.423 HD11 HG21 ' B' ' 64' ' ' ILE . 96.8 mt -118.93 138.6 49.13 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.544 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.4 t -152.96 97.28 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.291 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -87.25 150.61 23.78 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.293 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -148.28 102.72 3.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.183 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -98.92 150.7 21.66 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -161.96 109.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.243 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 51.3 -117.54 1.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.674 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.46 17.99 54.33 Favored Glycine 0 N--CA 1.468 0.782 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 49.4 ttm -129.6 125.79 36.98 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.028 0.442 . . . . 0.0 110.585 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -123.85 144.88 49.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.968 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 84.3 t -137.63 117.26 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.384 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.95 112.96 26.22 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.134 0.492 . . . . 0.0 109.776 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -94.65 117.47 30.17 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.271 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tp -123.42 126.22 46.39 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.929 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . 0.424 HD22 ' CG ' ' B' ' 21' ' ' ARG . 0.5 OUTLIER -126.09 121.42 32.86 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.882 179.3 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.7 mp -117.85 139.16 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' THR . . . . . 0.424 HG23 HH21 ' B' ' 19' ' ' ARG . 2.9 m -106.53 112.08 24.93 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.34 121.2 83.49 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.083 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 N--CA 1.486 1.049 0 C-N-CA 122.074 1.849 . . . . 0.0 112.248 -179.825 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.238 0.45 0 CA-C-O 121.28 0.562 . . . . 0.0 110.445 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' B' ' 29' ' ' GLU . 12.0 t70 -146.41 164.91 30.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.35 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 98.0 mtt180 -135.36 153.64 51.77 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.419 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.36 98.4 4.23 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.258 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -95.42 97.49 9.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.796 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.7 mt -101.76 109.48 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.44 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.419 HG22 HD13 ' A' ' 25' ' ' ILE . 19.4 mm -102.31 126.6 56.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.911 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.7 mt -116.87 134.61 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.351 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.11 109.47 9.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.145 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -101.93 126.0 48.74 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.536 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' B' ' 20' ' ' ASP . 81.6 tt0 -123.22 110.23 14.98 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.7 mtm-85 -105.35 138.76 41.03 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.746 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.33 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 . . . . . 0 N--CA 1.466 0.352 0 CA-C-O 120.83 0.347 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.502 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 8.0 mt -68.88 -49.11 27.89 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.414 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 60.6 Cg_endo -75.26 -12.96 21.01 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 122.324 2.016 . . . . 0.0 111.798 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.4 m -76.71 -54.03 7.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.662 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.26 -42.22 88.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -58.83 -43.5 90.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.789 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -62.39 -47.74 82.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.719 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.5 -36.34 80.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.021 0.439 . . . . 0.0 110.812 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.0 mt -71.91 -41.56 67.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.145 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.7 mmt -65.83 -33.5 75.98 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.769 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -83.61 -41.71 17.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 54' ' ' TYR . 47.7 t -65.15 -48.71 82.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.186 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.486 ' O ' ' O ' ' A' ' 55' ' ' VAL . 70.2 mt -60.76 -55.86 28.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.078 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -50.85 -27.13 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.811 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -94.63 -69.92 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.474 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' VAL . 44.8 m-85 -61.38 -26.25 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.5 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.486 ' O ' ' O ' ' A' ' 51' ' ' LEU . 25.9 t -118.77 152.66 21.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 121.202 0.525 . . . . 0.0 110.569 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -97.88 87.19 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.427 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.96 133.17 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.268 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.584 ' C ' ' H ' ' A' ' 60' ' ' ASP . 13.0 t -86.04 143.5 28.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.165 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.9 mt -52.63 -4.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.87 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.584 ' H ' ' C ' ' A' ' 58' ' ' SER . 98.3 m-20 -84.15 -23.04 30.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.713 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -103.08 13.63 33.71 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.777 0.322 . . . . 0.0 110.536 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -97.69 116.22 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.092 0.472 . . . . 0.0 110.226 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -93.93 117.47 30.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.277 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.3 mm -107.3 131.07 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 CA-C-O 121.15 0.5 . . . . 0.0 111.02 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -146.16 130.86 17.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.888 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -130.67 152.91 49.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.25 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -144.13 107.6 4.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.235 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -86.05 136.85 33.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.503 ' O ' ' O ' ' A' ' 72' ' ' MET . 10.5 tp-100 -154.28 151.36 29.03 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' A' ' 72' ' ' MET . 47.3 m-20 -30.63 130.76 0.1 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.723 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 70' ' ' ASP . . . 22.71 38.59 0.01 OUTLIER Glycine 0 CA--C 1.532 1.121 0 O-C-N 123.898 0.749 . . . . 0.0 112.159 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.621 ' N ' ' O ' ' A' ' 70' ' ' ASP . 52.3 tpp -156.05 141.95 18.05 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-O 121.576 0.703 . . . . 0.0 110.539 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -147.17 141.8 26.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.234 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.91 117.36 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 tt -107.01 104.58 14.28 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.054 0.454 . . . . 0.0 110.178 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -88.49 127.37 35.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.126 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.407 ' C ' HD21 ' A' ' 78' ' ' ASN . 61.3 tp -131.81 124.1 28.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.305 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.407 HD21 ' C ' ' A' ' 77' ' ' LEU . 7.1 m120 -127.51 123.07 35.03 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.273 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.5 mp -122.37 147.99 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 120.764 0.316 . . . . 0.0 110.276 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -116.84 110.87 18.92 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.609 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.0 mp -80.44 141.49 52.98 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.926 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo . . . . . 0 N--CA 1.488 1.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.114 179.462 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.239 0.506 0 CA-C-O 121.225 0.536 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 29' ' ' GLU . 15.0 t70 -146.5 164.7 31.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.441 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.436 ' N ' ' CG ' ' B' ' 20' ' ' ASP . 97.9 mtt180 -135.37 153.72 51.73 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.368 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.77 98.22 4.12 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.369 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -95.29 97.51 9.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.82 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.405 HD12 HG21 ' B' ' 24' ' ' ILE . 89.1 mt -101.72 109.72 26.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.43 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.43 HG22 HD13 ' B' ' 25' ' ' ILE . 21.6 mm -102.25 125.76 56.42 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.984 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 91.6 mt -115.81 133.54 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.364 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.38 110.17 10.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.225 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -102.71 126.43 49.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.694 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 82.1 tt0 -123.71 109.54 13.83 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 49.2 mtm-85 -105.1 139.22 40.09 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.521 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 . . . . . 0 N--CA 1.465 0.321 0 CA-C-O 120.683 0.278 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 8.5 mt -67.5 -48.94 43.51 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.392 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 61.1 Cg_endo -75.31 -13.13 20.88 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 122.366 2.044 . . . . 0.0 111.725 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 93.8 m -76.37 -54.21 7.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.604 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.25 -42.65 88.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.562 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -58.38 -43.57 88.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.706 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -62.49 -47.69 82.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.587 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.55 -36.3 80.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.044 0.45 . . . . 0.0 110.807 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 86.4 mt -71.95 -41.15 68.11 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.129 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 24.5 mmt -66.28 -33.45 75.77 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.663 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -83.61 -42.15 17.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' B' ' 54' ' ' TYR . 47.7 t -64.73 -48.5 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.184 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' B' ' 55' ' ' VAL . 69.6 mt -61.01 -56.14 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.055 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.6 t -50.64 -27.07 6.19 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -94.68 -69.47 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.932 0.396 . . . . 0.0 111.56 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' B' ' 50' ' ' VAL . 44.8 m-85 -61.76 -26.1 67.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.507 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.487 ' O ' ' O ' ' B' ' 51' ' ' LEU . 30.6 t -119.28 151.78 21.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.23 0.538 . . . . 0.0 110.702 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -96.93 88.09 4.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.494 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 m -145.85 133.15 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.183 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.592 ' C ' ' H ' ' B' ' 60' ' ' ASP . 15.7 t -85.93 143.56 28.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.259 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 64.0 mt -52.66 -5.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.872 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . 0.592 ' H ' ' C ' ' B' ' 58' ' ' SER . 93.4 m-20 -83.96 -22.99 31.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.668 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -102.85 13.66 33.85 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.644 0.259 . . . . 0.0 110.479 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.37 116.41 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.3 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 55.7 ttm-85 -93.91 118.3 31.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.268 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 mm -108.15 130.94 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -146.19 129.8 16.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.887 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -129.24 153.0 48.21 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.102 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -144.2 108.01 4.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.389 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -87.65 134.79 33.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.417 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.494 ' O ' ' O ' ' B' ' 70' ' ' ASP . 10.6 tp-100 -156.21 116.13 3.61 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.541 ' C ' ' H ' ' B' ' 72' ' ' MET . 78.6 m-20 27.54 -148.46 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 O-C-N 124.08 0.863 . . . . 0.0 110.633 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.85 42.22 0.2 Allowed Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.541 ' H ' ' C ' ' B' ' 70' ' ' ASP . 37.0 ttm -148.89 151.01 33.93 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-O 121.001 0.429 . . . . 0.0 110.667 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -152.51 141.64 21.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.166 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.87 118.26 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.295 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 tt -108.22 104.92 14.42 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.027 0.441 . . . . 0.0 110.247 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -88.29 128.81 35.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.202 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 56.0 tp -132.62 122.38 24.62 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.402 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -125.86 123.93 39.75 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.298 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.3 mp -123.41 147.59 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.776 0.322 . . . . 0.0 110.362 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -116.17 109.38 17.38 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 11.1 mp -79.73 140.03 54.69 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.12 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo . . . . . 0 N--CA 1.489 1.259 0 C-N-CA 122.726 2.284 . . . . 0.0 111.974 178.905 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 4.0 mtp180 . . . . . 0 C--O 1.234 0.272 0 CA-C-O 121.372 0.606 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 19' ' ' ARG . 4.3 m-20 -139.64 167.01 23.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.464 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.683 ' CG ' HD22 ' A' ' 78' ' ' ASN . 60.0 ttp180 -137.33 156.01 48.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.598 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.27 107.57 6.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.571 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -101.43 101.29 11.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.323 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.0 mt -97.64 114.87 36.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.194 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.4 mt -111.6 124.12 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.161 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.405 HG21 HD12 ' A' ' 26' ' ' ILE . 89.5 mt -117.14 127.5 74.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.238 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.7 103.41 8.86 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.115 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -102.48 126.93 49.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.221 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.485 ' OE2' ' NE ' ' B' ' 21' ' ' ARG . 7.4 pt-20 -121.98 115.72 23.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.271 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.603 ' NH2' ' H ' ' A' ' 39' ' ' TYR . 93.0 mtt180 -108.83 117.69 34.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.31 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.335 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.491 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.603 ' H ' ' NH2' ' A' ' 30' ' ' ARG . 47.1 m-85 . . . . . 0 N--CA 1.465 0.278 0 CA-C-O 120.646 0.26 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.564 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -61.06 -46.52 96.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 7.7 Cg_exo -72.06 -14.96 29.19 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.933 2.422 . . . . 0.0 111.674 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.6 m -78.22 -55.22 5.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.32 -43.86 93.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.742 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -60.17 -43.23 96.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.801 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -62.75 -49.02 76.67 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.988 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.15 -31.42 67.2 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.793 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.0 mt -75.49 -40.59 57.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.854 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.7 mmt -68.86 -39.15 80.03 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.499 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -61.92 -53.66 52.6 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.245 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 54' ' ' TYR . 16.4 m -62.49 -62.13 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.453 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.497 ' H ' ' CG2' ' A' ' 50' ' ' VAL . 71.4 mt -43.9 -24.3 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.705 0.288 . . . . 0.0 111.049 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.0 t -76.12 -44.05 40.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.268 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -105.7 -47.36 3.92 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.923 0.392 . . . . 0.0 111.135 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.3 m-85 -57.37 -43.73 83.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.775 -178.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.3 t -111.42 161.71 9.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.38 . . . . 0.0 110.282 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -94.56 70.67 3.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.724 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.22 129.68 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.251 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.58 ' C ' ' H ' ' A' ' 60' ' ' ASP . 47.9 t -83.67 146.21 28.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.176 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 4.2 mm? -54.59 -2.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.765 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' A' ' 58' ' ' SER . 96.5 m-20 -86.01 -20.75 28.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.619 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -104.76 15.88 27.05 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.633 0.254 . . . . 0.0 110.714 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -92.88 117.82 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 110.52 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -93.46 98.03 10.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.785 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 tp -97.94 132.63 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.004 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 t -153.67 95.34 1.88 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.127 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.469 ' CD ' ' N ' ' A' ' 67' ' ' GLU . 23.4 tm0? -87.03 151.6 23.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.493 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 66' ' ' GLN . 80.0 mt-10 -155.65 131.27 9.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.591 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -142.55 151.44 41.59 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -168.63 138.69 2.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.601 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.491 ' CG ' ' H ' ' A' ' 71' ' ' GLY . 63.6 t0 56.91 -123.26 1.72 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.319 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.491 ' H ' ' CG ' ' A' ' 70' ' ' ASP . . . -110.82 5.08 29.15 Favored Glycine 0 N--CA 1.465 0.608 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.5 ttm -112.33 123.86 51.2 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.886 0.374 . . . . 0.0 110.396 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.61 143.93 44.63 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.285 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 m -138.15 159.52 32.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 121.018 0.437 . . . . 0.0 110.149 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.87 131.22 28.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.598 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -113.34 115.5 28.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.987 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.7 tp -132.71 122.42 24.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.426 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.683 HD22 ' CG ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -126.02 123.1 37.69 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.879 179.222 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.61 ' N ' HD21 ' A' ' 78' ' ' ASN . 2.0 mp -118.15 141.51 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.902 0.382 . . . . 0.0 110.09 -179.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.5 m -110.62 109.1 19.26 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.962 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 10.2 mp -77.46 133.45 67.49 Favored Pre-proline 0 C--O 1.237 0.424 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.585 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo . . . . . 0 N--CA 1.492 1.384 0 C-N-CA 122.531 2.154 . . . . 0.0 112.186 179.721 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.44 ' O ' ' OD1' ' B' ' 20' ' ' ASP . 4.1 mtp180 . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 121.379 0.609 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' B' ' 19' ' ' ARG . 4.1 m-20 -139.94 165.82 26.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.286 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.685 ' CG ' HD22 ' B' ' 78' ' ' ASN . 60.0 ttp180 -135.52 156.95 48.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.617 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.98 108.77 6.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.513 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -102.9 101.68 11.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.383 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 72.4 mt -97.93 115.13 37.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.241 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 91.5 mt -111.67 123.99 68.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.074 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.4 mt -117.36 127.32 74.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.195 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.46 103.46 8.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.158 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.454 HE22 HH21 ' B' ' 30' ' ' ARG . 57.3 tt0 -102.73 125.58 49.52 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.2 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.503 ' OE2' ' NE ' ' A' ' 21' ' ' ARG . 7.5 pt-20 -120.42 116.49 25.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.285 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.575 ' NH2' ' H ' ' B' ' 39' ' ' TYR . 94.6 mtt180 -109.63 117.49 34.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.323 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.775 179.541 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.575 ' H ' ' NH2' ' B' ' 30' ' ' ARG . 46.0 m-85 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.771 0.32 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.564 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 0.6 OUTLIER -61.1 -46.59 96.19 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 7.5 Cg_exo -71.77 -15.05 30.09 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.933 2.422 . . . . 0.0 111.786 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 92.9 m -78.52 -55.82 4.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.146 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.78 -44.08 94.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.605 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -60.0 -43.32 95.29 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.734 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -62.43 -49.62 74.75 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.991 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.58 -31.44 66.17 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.695 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.2 mt -75.49 -40.43 57.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.967 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 22.5 mmt -68.96 -39.24 79.62 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.505 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -61.97 -53.54 54.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.232 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 0.511 ' O ' ' N ' ' B' ' 54' ' ' TYR . 16.4 m -62.63 -62.41 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.539 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.51 ' H ' ' CG2' ' B' ' 50' ' ' VAL . 71.3 mt -43.67 -24.73 0.13 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.73 0.3 . . . . 0.0 111.064 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.1 t -75.59 -44.04 45.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.369 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -105.86 -47.59 3.84 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.977 0.418 . . . . 0.0 111.165 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' B' ' 50' ' ' VAL . 3.2 m-85 -57.03 -43.67 82.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.782 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 45.4 t -111.62 161.54 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.007 0.432 . . . . 0.0 110.29 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -94.37 70.31 3.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.824 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -136.72 129.76 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.175 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.605 ' C ' ' H ' ' B' ' 60' ' ' ASP . 46.7 t -83.62 146.24 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.069 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.469 ' CD2' ' N ' ' B' ' 59' ' ' LEU . 4.3 mm? -54.54 -3.04 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.41 0.444 . . . . 0.0 110.649 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . 0.605 ' H ' ' C ' ' B' ' 58' ' ' SER . 96.2 m-20 -85.55 -20.6 29.35 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -104.81 15.99 26.83 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.742 0.306 . . . . 0.0 110.749 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -93.03 117.69 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.467 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -93.21 97.13 10.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.913 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 tp -97.0 132.18 42.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.103 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.4 t -153.72 95.24 1.86 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.706 -0.398 . . . . 0.0 109.969 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.449 ' CD ' ' N ' ' B' ' 67' ' ' GLU . 24.6 tm0? -87.16 151.87 22.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.638 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' B' ' 66' ' ' GLN . 79.4 mt-10 -155.68 131.11 9.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.617 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -142.39 151.06 41.47 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -168.45 139.01 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.584 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' B' ' 71' ' ' GLY . 57.9 t0 56.54 -123.57 1.8 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . 0.457 ' H ' ' CG ' ' B' ' 70' ' ' ASP . . . -110.67 6.07 29.6 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 39.7 ttm -113.43 124.19 51.85 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.935 0.398 . . . . 0.0 110.313 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -115.99 143.41 45.49 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.277 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.1 m -137.73 159.26 34.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 110.02 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.15 131.53 30.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.502 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -113.63 113.95 25.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.126 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 42.7 tp -131.34 122.89 27.15 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.537 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . 0.685 HD22 ' CG ' ' B' ' 21' ' ' ARG . 0.2 OUTLIER -126.36 122.89 36.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.944 179.251 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.601 ' N ' HD21 ' B' ' 78' ' ' ASN . 1.9 mp -117.77 141.83 34.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 120.781 0.324 . . . . 0.0 110.387 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 88.6 m -110.67 109.62 19.97 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' B' ' 81' ' ' LEU . 10.4 mp -78.08 133.09 65.51 Favored Pre-proline 0 C--O 1.237 0.439 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.667 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo . . . . . 0 N--CA 1.491 1.365 0 C-N-CA 122.65 2.234 . . . . 0.0 112.216 179.633 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.886 0.374 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -117.79 148.1 42.38 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.995 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -134.85 151.37 50.86 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.104 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.7 tp -141.81 116.63 9.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.464 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -116.16 102.82 9.94 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.684 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.409 HD12 HG21 ' A' ' 24' ' ' ILE . 90.3 mt -98.44 113.1 32.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.346 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.5 mt -103.8 119.99 53.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.774 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 81.6 mt -108.3 127.43 64.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.027 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.66 123.19 41.31 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.025 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -121.68 125.27 46.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.893 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -123.13 112.4 17.68 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -103.04 128.99 49.67 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.171 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.39 179.906 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 N--CA 1.466 0.339 0 CA-C-O 120.86 0.362 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.622 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 13.3 mt -72.71 -39.38 5.66 Favored Pre-proline 0 C--O 1.235 0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.28 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 57.5 Cg_endo -82.77 -19.41 6.06 Favored 'Trans proline' 0 N--CA 1.488 1.172 0 C-N-CA 122.333 2.022 . . . . 0.0 111.895 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.9 m -75.64 -51.26 13.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.065 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.58 -44.3 74.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.423 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.687 ' CG ' HH11 ' A' ' 44' ' ' ARG . 0.0 OUTLIER -57.15 -41.84 79.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.947 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.39 -51.59 68.14 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.045 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.98 -29.89 71.01 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.895 0.379 . . . . 0.0 111.009 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.58 -36.91 76.71 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.9 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.436 ' HG3' ' NH1' ' A' ' 44' ' ' ARG . 17.7 mmt -76.64 -29.68 56.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.463 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -81.17 -42.55 20.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.361 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 54' ' ' TYR . 14.5 p -64.72 -46.7 91.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.555 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.484 ' O ' ' O ' ' A' ' 55' ' ' VAL . 3.7 mp -60.55 -56.02 26.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.041 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -50.99 -28.21 9.41 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.706 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -95.47 -73.12 0.6 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.909 0.385 . . . . 0.0 111.731 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 50' ' ' VAL . 32.7 m-85 -57.1 -27.1 61.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' A' ' 51' ' ' LEU . 20.6 t -120.15 159.69 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.021 0.439 . . . . 0.0 110.429 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -99.41 76.35 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.345 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 m -138.8 132.84 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.17 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.503 ' C ' ' H ' ' A' ' 60' ' ' ASP . 1.3 t -91.84 142.8 27.17 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.42 ' N ' ' CD1' ' A' ' 59' ' ' LEU . 10.9 mp -46.74 -14.8 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.352 0.408 . . . . 0.0 110.323 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 61' ' ' ASN . 55.3 p-10 -74.35 -27.42 60.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.585 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.54 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 94.2 m-20 -94.46 16.63 14.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.48 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 1.5 mp -95.25 160.84 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.466 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 73.5 ttt180 -138.81 97.29 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.002 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.9 mm -83.81 126.07 40.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.501 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -142.92 94.59 2.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.84 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -91.81 145.09 24.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.428 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -149.92 102.76 3.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.088 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -107.21 156.4 18.88 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -165.39 118.8 1.2 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.459 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 48.79 -132.78 1.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.495 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.8 -4.56 88.72 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.501 ' SD ' ' N ' ' A' ' 73' ' ' ASP . 2.5 tpt -101.72 126.05 48.5 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.992 0.425 . . . . 0.0 110.114 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.501 ' N ' ' SD ' ' A' ' 72' ' ' MET . 96.7 m-20 -128.93 143.75 50.98 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.349 179.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -147.14 127.21 4.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.8 tt -108.45 115.62 30.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.102 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -93.41 120.28 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.213 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 tp -125.09 124.16 41.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.466 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -123.74 128.37 49.49 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.389 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.5 mp -128.85 147.39 33.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.947 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.1 m -115.55 110.8 19.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.8 mp -77.97 145.57 70.08 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 N--CA 1.494 1.537 0 C-N-CA 122.673 2.248 . . . . 0.0 112.475 -179.906 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.804 0.335 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -118.35 148.32 42.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.931 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -135.0 152.08 51.4 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.084 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 16.4 tp -142.77 116.18 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.462 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -115.64 103.21 10.47 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.677 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.418 HG21 HD12 ' B' ' 24' ' ' ILE . 89.8 mt -98.67 113.04 32.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.372 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 71.2 mt -103.85 119.35 52.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.788 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 80.6 mt -107.81 127.15 64.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.097 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.32 124.09 43.75 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.934 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -122.6 124.88 44.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.887 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -122.59 112.9 18.55 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.844 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -103.41 128.49 50.52 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.263 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.41 179.847 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 120.914 0.388 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.608 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 13.2 mt -72.85 -39.41 5.46 Favored Pre-proline 0 C--O 1.236 0.385 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.386 178.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 59.0 Cg_endo -82.52 -19.05 6.58 Favored 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.309 2.006 . . . . 0.0 111.97 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -75.83 -51.56 12.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.103 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 70.5 mt -68.78 -45.29 71.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.604 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.565 HH11 ' HG2' ' B' ' 44' ' ' ARG . 39.7 ttt-85 -56.33 -42.12 77.16 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.39 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -60.68 -51.76 68.0 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.111 -0.636 . . . . 0.0 111.096 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.85 -29.44 70.63 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.076 0.465 . . . . 0.0 110.769 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 61.5 mt -70.08 -36.54 75.0 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.122 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 18.7 mmt -76.95 -29.7 55.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.276 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -81.54 -42.44 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.637 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' B' ' 54' ' ' TYR . 13.5 p -64.97 -46.56 91.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.569 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.495 ' O ' ' O ' ' B' ' 55' ' ' VAL . 3.9 mp -60.59 -56.01 26.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.062 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -50.76 -28.0 8.33 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.709 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -95.56 -73.37 0.59 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 111.681 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' B' ' 50' ' ' VAL . 32.9 m-85 -56.66 -27.18 58.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.017 -178.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.495 ' O ' ' O ' ' B' ' 51' ' ' LEU . 20.5 t -120.16 159.41 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.116 0.484 . . . . 0.0 110.407 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -99.26 75.41 2.0 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.456 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 6.1 m -137.7 132.29 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.261 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.49 ' C ' ' H ' ' B' ' 60' ' ' ASP . 1.3 t -91.58 143.15 26.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.727 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' B' ' 59' ' ' LEU . 10.9 mp -47.0 -14.64 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.412 0.445 . . . . 0.0 110.344 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' B' ' 61' ' ' ASN . 55.6 p-10 -74.46 -26.96 60.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.496 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' B' ' 60' ' ' ASP . 92.9 m-20 -94.99 16.68 15.58 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.493 ' CD1' ' N ' ' B' ' 62' ' ' ILE . 1.5 mp -95.38 161.03 2.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.464 ' N ' ' CG2' ' B' ' 62' ' ' ILE . 73.4 ttt180 -139.05 97.41 3.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.076 178.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . 0.465 HG13 HH21 ' B' ' 44' ' ' ARG . 25.1 mm -83.64 126.22 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.463 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -143.11 94.46 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.782 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -91.74 145.11 24.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.404 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -150.18 102.44 3.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.003 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -106.55 157.12 17.91 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.026 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -165.93 119.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.443 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 48.31 -131.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.452 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.73 -3.85 85.66 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.518 ' SD ' ' N ' ' B' ' 73' ' ' ASP . 2.1 tpt -102.25 125.77 49.05 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.99 0.424 . . . . 0.0 110.052 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . 0.518 ' N ' ' SD ' ' B' ' 72' ' ' MET . 96.7 m-20 -128.38 143.8 51.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.324 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -146.98 127.22 5.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 6.4 tt -108.14 115.81 30.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.009 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -93.6 119.77 33.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.218 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.4 tp -125.06 124.48 42.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.442 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -124.08 128.31 49.12 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.402 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.6 mp -128.85 147.29 33.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.894 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 29.1 m -115.16 111.49 21.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.56 145.7 67.97 Favored Pre-proline 0 C--O 1.236 0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.452 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 N--CA 1.494 1.534 0 C-N-CA 122.713 2.275 . . . . 0.0 112.437 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.401 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 12.4 mpt_? . . . . . 0 C--O 1.235 0.327 0 CA-C-O 121.007 0.432 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 19' ' ' ARG . 89.5 m-20 -134.94 155.97 49.8 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.353 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -130.71 160.71 33.51 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.093 0.473 . . . . 0.0 110.381 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.16 102.34 5.16 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.693 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -96.39 100.65 12.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.724 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.403 HD11 HG22 ' A' ' 24' ' ' ILE . 89.5 mt -102.38 108.13 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.59 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.4 mm -102.64 120.13 51.97 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.023 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.406 HD12 HG23 ' A' ' 26' ' ' ILE . 89.2 mt -108.72 133.98 52.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.322 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.19 127.3 35.55 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.518 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.628 ' NE2' ' NH2' ' A' ' 30' ' ' ARG . 49.2 tt0 -127.83 138.05 52.58 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.342 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -134.95 129.32 34.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.367 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.628 ' NH2' ' NE2' ' A' ' 28' ' ' GLN . 88.1 mtt-85 -122.22 138.33 54.52 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.966 0.412 . . . . 0.0 110.264 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.368 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 179.879 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 . . . . . 0 N--CA 1.462 0.152 0 CA-C-O 120.835 0.35 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.3 mp -64.57 -58.61 12.93 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.488 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 40.3 Cg_endo -67.46 -14.9 44.0 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.765 2.31 . . . . 0.0 111.883 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.4 m -76.37 -58.33 3.35 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.252 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.26 -45.03 93.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.658 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -53.09 -60.09 3.72 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -44.54 -48.44 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.676 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.86 -35.59 76.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.069 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.5 mt -66.42 -41.82 88.66 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.413 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.436 ' N ' ' SD ' ' A' ' 48' ' ' MET . 19.6 mmm -73.54 -22.31 60.13 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -80.62 -45.94 16.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.761 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 54' ' ' TYR . 33.4 m -67.45 -40.92 85.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.011 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' A' ' 55' ' ' VAL . 3.0 mp -60.36 -62.15 2.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.705 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -53.04 -24.02 8.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.557 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -94.6 -74.55 0.54 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.469 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' A' ' 50' ' ' VAL . 54.8 m-85 -62.27 -25.1 67.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.287 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.497 ' O ' ' O ' ' A' ' 51' ' ' LEU . 11.9 t -118.8 160.61 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.092 0.472 . . . . 0.0 110.839 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -107.73 90.6 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.274 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 m -144.56 134.73 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.5 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 60' ' ' ASP . 70.7 m -82.79 156.08 23.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 4.4 mm? -62.97 -4.74 2.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.785 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 58' ' ' SER . 97.5 m-20 -88.15 -23.03 23.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.568 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -91.29 4.98 50.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.92 0.391 . . . . 0.0 110.476 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 63' ' ' ARG . 1.6 mp -96.64 154.4 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.97 0.415 . . . . 0.0 109.957 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.429 ' N ' HG22 ' A' ' 62' ' ' ILE . 33.2 mtp180 -137.2 110.02 7.61 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 177.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.0 mm -93.8 127.95 45.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.436 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.027 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.33 96.77 2.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.106 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -98.31 153.17 18.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -155.82 102.14 2.17 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 121.267 0.556 . . . . 0.0 110.503 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -84.51 138.97 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.47 ' O ' ' O ' ' A' ' 72' ' ' MET . 42.5 tt0 -135.42 121.47 20.03 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-O 121.028 0.442 . . . . 0.0 110.314 178.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -41.05 105.34 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.5 -37.31 3.09 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.47 ' O ' ' O ' ' A' ' 69' ' ' GLN . 0.7 OUTLIER -147.06 174.02 11.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 0.0 110.524 -179.408 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -145.64 146.91 31.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.367 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.59 164.15 34.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.228 0.537 . . . . 0.0 110.256 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 tp -151.45 108.58 3.56 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.844 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -87.65 117.17 26.28 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.151 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.0 tp -126.0 126.35 44.16 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.53 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -128.64 134.66 48.6 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.854 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.7 mp -132.07 151.45 35.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 CA-C-O 120.87 0.367 . . . . 0.0 110.134 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.3 m -114.95 112.77 23.2 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.103 0.478 . . . . 0.0 110.143 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mt -85.99 136.04 36.72 Favored Pre-proline 0 C--O 1.246 0.874 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.694 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 C--N 1.315 -1.216 0 C-N-CA 122.742 2.295 . . . . 0.0 112.143 179.439 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? . . . . . 0 C--O 1.236 0.386 0 CA-C-O 120.971 0.415 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -135.22 156.14 49.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.352 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -131.13 160.23 35.33 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.118 0.485 . . . . 0.0 110.42 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.02 102.33 5.18 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.573 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -96.45 100.52 12.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.758 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 87.8 mt -102.18 108.09 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.7 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 20.0 mm -102.36 119.7 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.973 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 91.5 mt -108.37 133.29 53.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.427 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.53 129.0 40.48 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.35 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.608 ' NE2' ' NH2' ' B' ' 30' ' ' ARG . 50.1 tt0 -129.98 137.36 50.26 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.326 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -134.42 129.81 35.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.355 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.608 ' NH2' ' NE2' ' B' ' 28' ' ' GLN . 87.1 mtt-85 -122.21 139.5 53.69 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.394 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.246 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.798 0.332 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 2.5 mp -69.39 -57.52 6.99 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.624 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 43.0 Cg_endo -68.68 -13.8 37.91 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.803 2.335 . . . . 0.0 111.796 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.8 m -76.15 -57.89 3.6 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.59 -45.91 88.23 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.763 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -51.46 -60.73 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.71 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -44.45 -48.87 10.01 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.841 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.56 75.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.166 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.89 -41.66 86.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.375 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 23.0 mmm -73.22 -22.38 60.44 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -80.78 -45.7 16.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.875 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' B' ' 54' ' ' TYR . 34.0 m -67.46 -41.15 85.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.037 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.508 ' O ' ' O ' ' B' ' 55' ' ' VAL . 2.9 mp -60.39 -61.97 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.788 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.1 t -53.16 -24.14 9.99 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.706 -0.397 . . . . 0.0 110.528 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -94.47 -74.39 0.54 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.482 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.503 ' N ' ' O ' ' B' ' 50' ' ' VAL . 53.1 m-85 -62.29 -25.35 67.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.241 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' B' ' 51' ' ' LEU . 13.2 t -118.84 160.74 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.23 0.538 . . . . 0.0 110.745 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -107.67 90.65 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.401 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 m -144.54 134.62 19.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.46 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.442 ' C ' ' H ' ' B' ' 60' ' ' ASP . 72.3 m -83.12 155.35 23.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.581 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.02 -3.16 1.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' B' ' 58' ' ' SER . 98.1 m-20 -89.27 -22.95 22.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.616 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -91.71 4.35 52.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.584 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.467 ' CG2' ' CD1' ' B' ' 64' ' ' ILE . 1.7 mp -94.81 156.28 3.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.111 0.481 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.422 ' N ' ' CG2' ' B' ' 62' ' ' ILE . 34.3 mtp180 -139.36 106.63 5.51 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.254 177.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . 0.467 ' CD1' ' CG2' ' B' ' 62' ' ' ILE . 1.6 mp -93.3 129.16 44.17 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.056 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.83 98.26 3.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.458 177.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -97.38 152.75 18.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.658 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -155.59 102.16 2.21 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.287 0.565 . . . . 0.0 110.428 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -84.72 139.29 32.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.954 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.454 ' O ' ' O ' ' B' ' 72' ' ' MET . 42.8 tt0 -135.89 120.35 18.09 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.295 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -40.17 105.41 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.38 -37.06 3.18 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.454 ' O ' ' O ' ' B' ' 69' ' ' GLN . 0.8 OUTLIER -147.82 172.94 13.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.915 0.388 . . . . 0.0 110.581 -179.472 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.51 146.6 32.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.457 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 m -133.97 164.38 34.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.237 0.541 . . . . 0.0 110.305 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 tp -151.73 108.29 3.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.791 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -87.34 116.89 25.74 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.371 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 14.8 tp -125.22 127.89 47.46 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.451 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -130.19 134.63 47.42 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.642 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 3.8 mp -132.11 151.83 35.67 Favored 'Isoleucine or valine' 0 C--N 1.34 0.185 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 13.8 m -115.7 111.35 20.46 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.206 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 mt -84.91 135.92 39.34 Favored Pre-proline 0 C--O 1.243 0.743 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.669 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo . . . . . 0 C--N 1.314 -1.26 0 C-N-CA 122.646 2.231 . . . . 0.0 112.152 179.448 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.236 0.376 0 CA-C-O 121.073 0.463 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 21' ' ' ARG . 42.1 t0 -139.75 138.2 35.71 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.179 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.496 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 97.2 mtt180 -120.22 156.93 30.17 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.346 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.5 mt -133.32 109.49 9.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.604 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -101.61 94.78 6.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.764 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.6 mt -99.91 112.92 33.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.023 0.439 . . . . 0.0 111.021 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.2 mt -109.39 125.24 66.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.779 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.5 mt -114.09 135.61 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.693 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.17 93.97 3.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.899 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -96.45 141.17 30.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.556 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -128.48 109.11 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -104.82 139.16 39.99 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.171 179.421 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 . . . . . 0 N--CA 1.466 0.367 0 CA-C-O 120.736 0.303 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 3.3 mp -67.29 -42.81 41.18 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.554 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 26.8 Cg_exo -62.58 -24.46 75.15 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.638 2.225 . . . . 0.0 111.884 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.2 m -77.77 -55.16 5.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.9 mt -65.45 -44.08 88.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -59.4 -45.22 92.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.834 0.35 . . . . 0.0 110.717 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -61.61 -47.94 83.17 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.449 -0.501 . . . . 0.0 111.083 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.35 77.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.946 0.403 . . . . 0.0 110.726 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.9 mt -71.5 -41.89 68.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.235 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.1 mmt -65.29 -34.12 77.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.701 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -81.2 -43.17 19.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.028 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 54' ' ' TYR . 48.3 t -64.55 -48.75 83.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.577 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 55' ' ' VAL . 71.4 mt -59.2 -55.7 31.63 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.2 t -51.84 -28.27 15.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.801 0.334 . . . . 0.0 110.691 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -93.33 -68.75 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.266 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 50' ' ' VAL . 31.9 m-85 -61.78 -24.29 66.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 51' ' ' LEU . 15.2 t -123.6 156.77 30.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.932 0.396 . . . . 0.0 110.495 -179.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.34 92.91 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.644 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 m -149.75 136.42 12.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.39 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.505 ' C ' ' H ' ' A' ' 60' ' ' ASP . 43.0 t -87.47 151.04 23.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.511 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 4.2 mm? -58.9 -2.93 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.431 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' A' ' 58' ' ' SER . 35.8 t70 -88.65 -26.23 21.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -96.8 13.58 28.1 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.703 0.287 . . . . 0.0 110.432 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 26.5 mm -97.74 116.79 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 CA-C-O 121.188 0.518 . . . . 0.0 111.457 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -96.6 101.77 13.44 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.365 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 tp -94.24 135.68 27.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.047 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -146.88 95.9 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.202 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -91.28 148.46 22.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.672 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -153.21 143.87 22.68 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.484 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -139.68 147.68 41.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.823 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -158.02 94.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.182 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.546 ' CG ' ' H ' ' A' ' 71' ' ' GLY . 20.7 t0 68.74 -152.68 0.15 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.546 ' H ' ' CG ' ' A' ' 70' ' ' ASP . . . -65.11 4.35 1.8 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.517 ' H ' ' C ' ' A' ' 70' ' ' ASP . 51.3 ttm -112.98 133.12 55.09 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.7 0.286 . . . . 0.0 110.626 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -130.78 148.54 52.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.112 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.5 m -135.03 162.87 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.496 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.4 tp -147.16 107.39 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.457 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -94.65 122.45 37.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.135 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.7 tp -131.54 126.5 35.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.819 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -123.74 118.78 27.99 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.46 138.32 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.011 0.434 . . . . 0.0 110.165 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.9 m -107.12 107.08 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.758 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.6 mp -81.01 141.39 50.58 Favored Pre-proline 0 C--O 1.242 0.672 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.429 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 N--CA 1.49 1.269 0 C-N-CA 122.792 2.328 . . . . 0.0 112.125 -179.588 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.236 0.363 0 CA-C-O 121.033 0.444 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' B' ' 21' ' ' ARG . 41.9 t0 -139.16 137.53 36.15 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.291 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.509 ' N ' ' OD1' ' B' ' 20' ' ' ASP . 96.8 mtt180 -119.37 157.57 27.9 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.244 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.1 mt -133.85 110.08 9.52 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -101.93 94.97 6.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.705 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 71.9 mt -100.21 112.35 32.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.006 0.432 . . . . 0.0 111.067 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.415 HD12 HG22 ' B' ' 25' ' ' ILE . 88.6 mt -109.26 125.03 66.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.797 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.424 HD13 HG21 ' B' ' 26' ' ' ILE . 95.2 mt -113.88 136.23 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.712 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.81 93.78 3.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.905 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -96.45 140.98 30.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.511 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -128.01 109.61 11.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.769 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -105.5 139.92 39.38 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.722 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.268 179.48 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 . . . . . 0 N--CA 1.466 0.368 0 CA-C-O 120.727 0.299 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 3.6 mp -66.95 -43.5 47.73 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.457 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 27.1 Cg_exo -62.22 -24.56 76.24 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.53 2.154 . . . . 0.0 112.116 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 86.9 m -77.49 -53.91 7.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.07 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.0 mt -66.91 -44.06 81.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -59.54 -44.24 93.29 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.85 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -62.2 -47.93 82.27 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.042 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.74 -36.09 78.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.932 0.396 . . . . 0.0 110.806 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.84 -42.16 67.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.24 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 18.4 mmt -65.33 -33.73 76.66 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.194 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -81.49 -43.61 18.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' B' ' 54' ' ' TYR . 49.7 t -64.37 -48.69 84.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.525 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' B' ' 55' ' ' VAL . 73.5 mt -59.09 -55.5 34.27 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.54 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 9.2 t -52.03 -28.23 16.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.675 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -93.43 -69.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.225 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' B' ' 50' ' ' VAL . 32.0 m-85 -61.7 -24.23 66.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.468 ' O ' ' O ' ' B' ' 51' ' ' LEU . 14.5 t -123.39 156.65 29.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.913 0.387 . . . . 0.0 110.532 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.3 93.26 5.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.595 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 4.2 m -149.83 135.79 11.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.32 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.575 ' C ' ' H ' ' B' ' 60' ' ' ASP . 41.6 t -87.42 147.84 25.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.433 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' B' ' 59' ' ' LEU . 4.2 mm? -55.76 -2.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.703 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . 0.575 ' H ' ' C ' ' B' ' 58' ' ' SER . 38.7 t70 -88.34 -23.69 23.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.531 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -99.47 11.93 37.79 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.629 0.252 . . . . 0.0 110.593 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.417 HD11 ' N ' ' B' ' 62' ' ' ILE . 1.0 OUTLIER -95.54 114.4 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 120.996 0.427 . . . . 0.0 110.459 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -94.67 101.37 13.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.271 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 tp -93.54 134.99 29.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.5 m -146.23 95.77 2.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.109 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -91.18 148.69 22.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.714 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -153.29 143.87 22.59 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.509 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -139.63 147.19 40.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.685 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -157.57 95.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.261 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.519 ' CG ' ' H ' ' B' ' 71' ' ' GLY . 20.5 t0 67.83 -151.96 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.543 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . 0.519 ' H ' ' CG ' ' B' ' 70' ' ' ASP . . . -65.6 4.42 2.16 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.503 ' H ' ' C ' ' B' ' 70' ' ' ASP . 9.0 tpp -112.9 133.96 54.63 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-O 120.762 0.315 . . . . 0.0 110.708 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -131.46 146.74 52.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.153 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 m -133.86 161.82 40.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.579 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 43.3 tp -146.61 108.02 4.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.602 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -95.18 123.94 38.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.084 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 53.0 tp -133.0 125.61 30.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.799 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -122.56 119.08 29.8 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.867 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.52 138.39 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.023 0.44 . . . . 0.0 110.308 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 91.0 m -107.67 106.87 17.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.782 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 mp -80.92 141.88 51.5 Favored Pre-proline 0 C--O 1.241 0.619 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.322 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 C--N 1.317 -1.122 0 C-N-CA 122.895 2.396 . . . . 0.0 112.179 -179.768 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 mmt-85 . . . . . 0 CA--C 1.517 -0.303 0 CA-C-O 120.667 0.27 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.32 137.53 52.37 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.738 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -134.6 158.2 44.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.541 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.99 110.07 5.62 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.611 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -102.99 102.12 12.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.184 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.8 mt -102.6 112.68 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 120.912 0.387 . . . . 0.0 110.656 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.04 125.24 56.24 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.5 mt -112.0 131.28 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.498 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -127.35 108.62 11.0 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.732 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.586 HE22 ' H ' ' A' ' 39' ' ' TYR . 31.4 tt0 -103.66 115.95 31.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.684 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -115.0 116.73 28.93 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.658 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -120.57 136.99 54.64 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.049 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.474 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.586 ' H ' HE22 ' A' ' 28' ' ' GLN . 72.6 m-85 . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 121.06 0.457 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.468 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 2.6 mt -56.55 -61.04 7.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.327 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 20.0 Cg_endo -60.13 -14.6 29.53 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.544 2.163 . . . . 0.0 111.711 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.1 m -73.83 -55.06 6.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.87 -49.98 58.99 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.783 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.518 ' O ' ' SD ' ' A' ' 48' ' ' MET . 70.7 ttp85 -48.96 -56.31 9.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.802 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -50.1 -49.98 49.85 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.718 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.42 -36.16 71.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 0.0 110.434 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.52 -41.54 75.88 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.445 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -62.86 -31.37 72.39 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.574 -179.068 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -85.77 -41.4 15.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.198 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 54' ' ' TYR . 55.5 t -65.67 -47.94 84.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.497 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 55' ' ' VAL . 81.9 mt -60.81 -56.47 20.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.054 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.0 t -53.08 -23.54 8.08 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.878 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -96.94 -71.42 0.68 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.522 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 50' ' ' VAL . 46.0 m-85 -61.19 -27.35 68.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.354 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' A' ' 51' ' ' LEU . 19.7 t -116.96 158.79 17.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.009 0.433 . . . . 0.0 110.435 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -99.27 72.62 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.597 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.0 m -138.17 133.86 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.412 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.0 p -89.55 166.84 13.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.442 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.77 -15.67 63.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.534 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -82.44 -25.69 33.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -97.88 8.1 45.27 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 120.799 0.333 . . . . 0.0 110.514 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.407 HG23 HD11 ' A' ' 62' ' ' ILE . 12.3 mt -102.52 122.36 54.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.075 0.464 . . . . 0.0 110.518 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -93.32 134.58 35.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.782 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.419 HG22 HD12 ' A' ' 64' ' ' ILE . 96.4 mt -131.34 137.46 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.638 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.423 ' OG ' ' OE2' ' A' ' 67' ' ' GLU . 9.3 t -152.37 128.13 10.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.335 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -115.78 150.85 36.25 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.575 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 55.7 mp0 -144.02 101.35 3.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.374 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -82.0 133.09 35.27 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.215 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.449 ' O ' ' O ' ' A' ' 72' ' ' MET . 39.6 tp60 -165.51 117.76 1.13 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.853 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.575 ' C ' ' H ' ' A' ' 72' ' ' MET . 96.4 m-20 54.38 -170.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.194 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.93 25.08 0.41 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.575 ' H ' ' C ' ' A' ' 70' ' ' ASP . 42.7 ttp -138.61 117.28 12.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.888 0.375 . . . . 0.0 110.058 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -102.33 150.99 22.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.355 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.433 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 60.0 t -133.69 120.05 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.335 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tp -109.13 108.27 18.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.072 0.463 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -85.86 109.74 18.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.866 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 tp -116.26 128.19 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.656 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.667 HD21 ' N ' ' A' ' 79' ' ' ILE . 0.9 OUTLIER -133.4 126.26 30.86 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.415 179.555 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.667 ' N ' HD21 ' A' ' 78' ' ' ASN . 3.8 mp -120.2 143.4 32.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -111.7 107.28 16.32 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.9 mp -78.43 133.83 63.1 Favored Pre-proline 0 C--O 1.242 0.704 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.509 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo . . . . . 0 N--CA 1.487 1.102 0 C-N-CA 122.769 2.313 . . . . 0.0 112.057 -179.862 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.559 0.219 . . . . 0.0 111.071 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.36 139.4 47.95 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 116.341 -0.391 . . . . 0.0 109.965 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -136.06 157.59 46.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.559 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.31 111.59 6.53 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.735 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -104.45 101.37 11.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.109 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 83.2 mt -101.85 112.87 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.976 0.417 . . . . 0.0 110.826 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.04 124.75 56.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.772 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 94.8 mt -111.79 131.39 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.485 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -127.25 108.7 11.1 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.782 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.604 HE22 ' H ' ' B' ' 39' ' ' TYR . 31.3 tt0 -103.6 117.09 33.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.554 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -116.42 115.3 25.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 32.1 ptt-85 -118.07 136.08 53.79 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.26 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.496 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.604 ' H ' HE22 ' B' ' 28' ' ' GLN . 68.3 m-85 . . . . . 0 N--CA 1.464 0.232 0 CA-C-O 120.971 0.415 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.476 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 2.5 mt -57.88 -61.12 7.99 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 21.6 Cg_endo -60.08 -15.2 32.39 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.639 2.226 . . . . 0.0 111.835 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 8.4 m -73.48 -54.85 7.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 mt -68.39 -49.96 56.35 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.694 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.521 ' O ' ' SD ' ' B' ' 48' ' ' MET . 70.6 ttp85 -48.71 -56.44 8.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.718 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -50.0 -50.75 46.12 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.698 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.84 -36.25 69.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.177 0.513 . . . . 0.0 110.504 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.23 -41.75 76.59 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.43 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' B' ' 48' ' ' MET . 0.0 OUTLIER -62.88 -31.2 72.19 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.614 -179.05 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -85.6 -41.72 14.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.175 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' B' ' 54' ' ' TYR . 53.7 t -65.34 -47.88 85.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.415 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' B' ' 55' ' ' VAL . 84.0 mt -61.03 -56.11 24.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.305 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 29.5 t -53.03 -23.52 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.793 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -97.48 -71.1 0.7 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.477 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' B' ' 50' ' ' VAL . 44.6 m-85 -61.16 -27.51 68.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.3 -178.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' B' ' 51' ' ' LEU . 18.8 t -117.06 159.08 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.961 0.41 . . . . 0.0 110.456 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -99.45 72.46 1.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.601 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 m -138.09 133.88 44.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.378 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 87.5 p -89.75 167.34 12.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.392 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.0 mt -68.12 -15.46 63.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.443 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -82.67 -26.31 32.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -97.27 8.19 45.05 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 120.72 0.295 . . . . 0.0 110.411 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 12.7 mt -102.73 122.29 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.989 0.423 . . . . 0.0 110.59 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -93.48 135.16 35.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.626 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . 0.409 HD12 HG22 ' B' ' 64' ' ' ILE . 96.2 mt -131.95 137.53 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.814 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.403 ' OG ' ' OE2' ' B' ' 67' ' ' GLU . 11.5 t -152.15 130.9 12.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.28 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -118.53 150.56 39.43 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.474 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' B' ' 67' ' ' GLU . 55.3 mp0 -143.97 102.55 3.91 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.105 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -83.24 131.85 35.08 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.933 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.46 ' O ' ' O ' ' B' ' 72' ' ' MET . 0.2 OUTLIER -161.31 123.1 2.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.206 178.614 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' B' ' 72' ' ' MET . 95.5 m-20 48.54 -166.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.93 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.23 25.71 0.85 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.524 ' H ' ' C ' ' B' ' 70' ' ' ASP . 42.5 ttp -138.7 115.87 11.03 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.877 0.37 . . . . 0.0 110.251 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -100.92 151.79 21.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.432 ' O ' ' OE1' ' B' ' 67' ' ' GLU . 61.2 t -134.38 120.04 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.246 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tp -109.34 108.66 19.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -85.88 110.34 19.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.935 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 tp -116.84 128.59 55.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.569 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . 0.665 HD21 ' N ' ' B' ' 79' ' ' ILE . 0.8 OUTLIER -133.76 127.14 32.13 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 179.668 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.665 ' N ' HD21 ' B' ' 78' ' ' ASN . 3.8 mp -121.35 143.68 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 1.5 m -111.93 106.92 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.9 mp -77.89 133.4 65.83 Favored Pre-proline 0 C--O 1.243 0.76 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.394 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo . . . . . 0 N--CA 1.487 1.129 0 C-N-CA 122.664 2.243 . . . . 0.0 112.178 -179.816 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 N--CA 1.468 0.445 0 CA-C-O 121.505 0.669 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.91 164.91 30.52 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.026 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.2 mtm-85 -135.96 155.23 50.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.454 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.99 99.44 4.43 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.301 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -94.85 95.89 8.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.463 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.407 HD12 HG21 ' A' ' 24' ' ' ILE . 91.5 mt -96.32 111.39 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.0 mt -113.11 131.94 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.2 mt -126.26 144.7 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.474 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.96 103.07 6.1 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.101 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -95.72 122.47 38.52 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.235 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 17.5 mp0 -117.34 111.6 19.57 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.142 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -105.49 125.6 51.17 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.176 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.128 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 . . . . . 0 N--CA 1.468 0.458 0 CA-C-O 120.786 0.327 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.541 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 6.5 mt -64.97 -49.27 68.85 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 58.2 Cg_endo -72.19 -14.29 28.62 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.345 2.03 . . . . 0.0 112.065 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -77.38 -58.93 3.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.942 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.22 -44.19 89.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.945 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.424 ' HE ' HD11 ' A' ' 64' ' ' ILE . 59.1 ttt-85 -57.97 -53.74 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.13 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -50.53 -45.38 56.77 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.879 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.49 -33.5 75.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.32 -44.1 63.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.945 0.402 . . . . 0.0 111.55 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.8 mtp -66.33 -32.65 74.19 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.655 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -81.76 -43.61 18.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.013 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.21 -47.33 84.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 O-C-N 123.262 0.351 . . . . 0.0 110.401 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 55' ' ' VAL . 63.5 mt -59.7 -51.39 69.97 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.575 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.6 m -61.32 -23.9 66.06 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.006 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -92.6 -47.87 6.89 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.839 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -84.88 -24.58 28.45 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.995 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 51' ' ' LEU . 41.1 t -122.45 138.63 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 121.061 0.458 . . . . 0.0 110.597 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -75.22 77.06 2.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.862 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.9 132.64 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.363 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.516 ' OG ' ' ND2' ' A' ' 61' ' ' ASN . 18.5 p -86.34 139.99 30.46 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.9 mt -45.75 -35.03 4.0 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.598 0.561 . . . . 0.0 110.84 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -69.01 -14.76 63.23 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.282 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.516 ' ND2' ' OG ' ' A' ' 58' ' ' SER . 98.6 m-20 -99.89 20.27 14.59 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.711 0.291 . . . . 0.0 110.951 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' A' ' 58' ' ' SER . 2.3 mp -115.51 130.26 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.07 0.462 . . . . 0.0 110.583 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -87.14 113.44 22.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.016 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.424 HD11 ' HE ' ' A' ' 44' ' ' ARG . 42.2 mm -94.38 122.37 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.956 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -145.04 95.2 2.65 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.698 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -97.93 154.91 17.34 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.731 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -146.15 101.39 3.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.154 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -93.08 143.86 25.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.772 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 72' ' ' MET . 1.6 tp-100 -150.37 160.77 43.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.384 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.518 ' C ' ' H ' ' A' ' 72' ' ' MET . 37.7 t70 -65.5 121.82 15.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.98 -34.91 0.62 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.518 ' H ' ' C ' ' A' ' 70' ' ' ASP . 54.0 tpp -108.55 146.39 33.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.414 . . . . 0.0 110.453 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 72' ' ' MET . 87.8 m-20 -145.55 137.34 25.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.095 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 75' ' ' LEU . 53.7 t -131.29 157.37 43.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.908 0.385 . . . . 0.0 110.02 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.433 ' N ' ' CG1' ' A' ' 74' ' ' VAL . 47.4 tp -139.83 115.37 10.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.566 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -103.41 108.41 19.65 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.929 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.5 tp -122.83 123.53 41.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.311 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.683 HD21 ' N ' ' A' ' 79' ' ' ILE . 0.6 OUTLIER -128.18 121.01 28.44 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.208 179.378 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.683 ' N ' HD21 ' A' ' 78' ' ' ASN . 4.0 mp -115.7 143.94 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.719 0.295 . . . . 0.0 110.582 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 79.1 m -109.79 116.33 31.48 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.884 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 9.5 mp -81.87 131.08 58.24 Favored Pre-proline 0 C--O 1.24 0.604 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.716 -178.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 N--CA 1.491 1.341 0 C-N-CA 122.766 2.311 . . . . 0.0 112.37 179.911 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? . . . . . 0 C--O 1.24 0.556 0 CA-C-O 121.421 0.629 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.51 164.79 30.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.066 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 84.7 mtm-85 -136.1 155.68 49.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.504 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.55 99.49 4.36 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.422 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -94.74 95.59 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.416 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 91.4 mt -95.99 111.1 25.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.345 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 94.6 mt -112.78 132.17 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.02 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 72.0 mt -126.66 144.85 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.411 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.09 103.36 6.23 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.243 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -96.07 121.77 38.19 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.223 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' B' ' 29' ' ' GLU . 20.8 mp0 -117.07 111.74 19.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.034 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 ttp85 -105.15 126.05 51.65 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.19 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.163 179.893 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 N--CA 1.467 0.417 0 CA-C-O 120.807 0.337 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.524 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 6.6 mt -66.2 -49.0 57.3 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.6 179.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 58.8 Cg_endo -72.9 -14.07 26.54 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.359 2.04 . . . . 0.0 112.066 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 86.5 m -77.48 -59.31 2.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.76 -44.48 89.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.832 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.421 ' HE ' HD11 ' B' ' 64' ' ' ILE . 59.3 ttt-85 -57.13 -56.59 19.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -47.83 -45.42 29.84 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.939 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.44 -33.84 76.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.776 0.322 . . . . 0.0 110.757 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.46 -44.46 62.31 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.024 0.44 . . . . 0.0 111.561 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 89.8 mmm -65.71 -32.73 74.44 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.586 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -82.27 -42.98 18.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.03 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 44.1 t -66.37 -47.26 84.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.367 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' B' ' 55' ' ' VAL . 62.3 mt -59.88 -51.91 67.71 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.735 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 38.2 m -59.48 -25.32 64.32 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.337 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -92.45 -49.77 5.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.728 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -81.49 -25.33 36.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.32 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' B' ' 51' ' ' LEU . 40.9 t -122.42 137.74 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.068 0.461 . . . . 0.0 110.717 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -74.6 77.33 2.0 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.893 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -140.33 132.25 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.311 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.514 ' O ' ' CD1' ' B' ' 62' ' ' ILE . 18.5 p -85.93 139.96 30.77 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 57.5 mt -45.79 -34.92 4.0 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.646 0.591 . . . . 0.0 110.944 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -68.89 -15.01 63.38 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.336 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . 0.506 ' ND2' ' OG ' ' B' ' 58' ' ' SER . 98.6 m-20 -99.51 19.58 15.44 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.6 0.238 . . . . 0.0 110.897 -179.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' B' ' 58' ' ' SER . 2.2 mp -114.9 130.18 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.056 0.455 . . . . 0.0 110.569 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -87.0 113.48 22.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.102 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . 0.421 HD11 ' HE ' ' B' ' 44' ' ' ARG . 42.5 mm -94.55 122.1 45.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.078 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.5 m -144.87 95.22 2.66 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.651 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -97.89 154.85 17.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.698 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -145.88 101.65 3.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.213 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -93.55 142.77 26.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.836 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' B' ' 72' ' ' MET . 1.6 tp-100 -148.51 161.4 41.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.399 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.54 ' C ' ' H ' ' B' ' 72' ' ' MET . 36.9 t70 -66.46 122.8 18.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.59 -33.87 0.58 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.54 ' H ' ' C ' ' B' ' 70' ' ' ASP . 31.4 ttm -110.85 148.01 33.32 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.956 0.408 . . . . 0.0 110.764 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 72' ' ' MET . 85.4 m-20 -146.19 139.42 25.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.199 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' B' ' 75' ' ' LEU . 53.3 t -132.76 157.58 43.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.992 0.425 . . . . 0.0 109.973 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.432 ' N ' ' CG1' ' B' ' 74' ' ' VAL . 47.4 tp -140.0 115.63 10.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.56 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -103.79 107.31 18.13 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.963 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.0 tp -121.73 123.97 43.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.196 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . 0.664 HD21 ' N ' ' B' ' 79' ' ' ILE . 0.7 OUTLIER -128.86 121.06 27.4 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.143 179.393 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.664 ' N ' HD21 ' B' ' 78' ' ' ASN . 4.0 mp -115.7 144.47 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 120.744 0.307 . . . . 0.0 110.501 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 88.3 m -110.3 116.44 31.47 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.846 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' B' ' 81' ' ' LEU . 9.4 mp -81.97 131.02 58.13 Favored Pre-proline 0 C--O 1.241 0.61 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.667 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 N--CA 1.492 1.427 0 C-N-CA 122.849 2.366 . . . . 0.0 112.49 179.953 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.364 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.568 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 7.1 p-10 -131.77 145.25 51.49 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.129 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -124.67 158.06 34.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.087 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mp -127.83 123.98 36.46 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.346 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -119.56 96.29 5.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.31 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 94.9 mt -101.1 106.83 20.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.9 mt -103.1 126.5 57.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 86.6 mt -119.48 143.28 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.418 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -139.49 107.28 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.094 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -100.01 132.17 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.66 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.31 109.24 13.11 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.526 HH22 ' CG ' ' A' ' 73' ' ' ASP . 63.3 mtm-85 -110.37 137.96 47.39 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.985 0.421 . . . . 0.0 110.522 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.59 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.241 179.603 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.236 0.377 0 CA-C-O 121.005 0.431 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.601 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -67.57 -44.05 43.07 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.531 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 23.9 Cg_exo -66.08 -14.21 43.37 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.762 2.308 . . . . 0.0 111.563 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.7 m -83.2 -49.38 9.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.826 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.06 -43.84 90.97 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.747 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.446 ' O ' ' SD ' ' A' ' 48' ' ' MET . 60.1 ttp180 -60.89 -51.69 68.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -54.84 -46.97 74.71 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.592 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.25 -37.67 72.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.675 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.33 -42.13 72.31 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.937 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.598 ' N ' ' SD ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -61.62 -32.76 72.91 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 120.93 0.395 . . . . 0.0 110.885 -179.389 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -84.1 -41.44 17.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.339 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.15 -48.28 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.176 0.512 . . . . 0.0 110.93 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 55' ' ' VAL . 3.3 mm? -60.65 -54.29 47.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.22 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.0 m -56.55 -24.29 46.04 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.131 -0.627 . . . . 0.0 110.887 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -93.26 -76.02 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.845 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -58.59 -25.44 62.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.397 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 51' ' ' LEU . 18.7 t -118.2 149.11 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.254 0.55 . . . . 0.0 110.715 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -93.23 87.17 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.285 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 m -141.41 131.59 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.397 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.628 ' C ' ' H ' ' A' ' 60' ' ' ASP . 34.5 t -80.7 142.33 34.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.204 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mt -54.24 -0.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.234 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.628 ' H ' ' C ' ' A' ' 58' ' ' SER . 34.5 t70 -88.71 -20.79 24.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.528 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -101.68 14.16 32.78 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.708 0.289 . . . . 0.0 110.574 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -93.47 109.9 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 0.0 110.597 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -95.52 123.44 39.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.89 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 95.9 mt -122.97 139.67 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.6 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t -153.86 95.77 1.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.145 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -86.67 153.2 21.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -147.93 146.69 29.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -138.96 137.2 36.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.73 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.36 127.95 0.12 Allowed 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.663 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 72' ' ' MET . 22.9 t0 54.92 58.31 4.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.674 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 44.67 17.52 0.09 OUTLIER Glycine 0 C--O 1.239 0.409 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' ASP . 32.1 ttm -116.63 99.75 7.35 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.926 0.394 . . . . 0.0 110.466 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.526 ' CG ' HH22 ' A' ' 30' ' ' ARG . 93.1 m-20 -91.0 140.36 29.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.462 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -132.6 118.54 35.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.516 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.1 tp -106.22 104.47 14.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.747 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -89.28 120.19 30.43 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.793 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 tp -126.43 130.24 50.3 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.749 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.431 HD21 ' N ' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -132.33 124.08 28.09 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.202 179.257 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.431 ' N ' HD21 ' A' ' 78' ' ' ASN . 1.8 mp -123.95 151.14 28.69 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.307 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.1 m -113.55 115.42 27.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.721 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.461 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 10.0 mp -85.53 117.82 69.49 Favored Pre-proline 0 C--O 1.246 0.895 0 O-C-N 123.448 0.468 . . . . 0.0 110.576 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo . . . . . 0 C--N 1.318 -1.029 0 C-N-CA 122.667 2.245 . . . . 0.0 111.841 178.853 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.386 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.567 ' N ' ' OD1' ' B' ' 20' ' ' ASP . 7.2 p-10 -131.5 145.06 51.57 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.021 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -124.72 157.26 36.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.051 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mp -127.01 124.47 39.46 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.456 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -119.86 95.5 4.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.238 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 95.4 mt -100.5 107.03 20.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.976 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.2 mt -103.21 127.72 56.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.693 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 85.2 mt -121.1 141.72 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.424 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -138.09 107.56 6.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.078 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -100.26 131.35 46.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.9 109.6 14.36 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.53 HH22 ' CG ' ' B' ' 73' ' ' ASP . 64.3 mtm-85 -111.16 137.39 48.91 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.069 0.462 . . . . 0.0 110.346 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.469 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.308 179.61 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.238 0.485 0 CA-C-O 121.114 0.483 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.596 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 0.5 OUTLIER -66.52 -44.33 55.27 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.549 -179.819 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 24.7 Cg_exo -65.27 -15.01 48.06 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.686 2.257 . . . . 0.0 111.716 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 33.5 m -81.95 -49.32 10.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.02 -43.63 91.8 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.777 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.484 ' O ' ' SD ' ' B' ' 48' ' ' MET . 60.3 ttp180 -61.04 -51.1 70.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -55.45 -46.74 76.73 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.578 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.93 73.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.935 0.398 . . . . 0.0 110.577 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 97.7 mt -70.14 -41.78 73.41 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.989 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' MET . . . . . 0.6 ' N ' ' SD ' ' B' ' 48' ' ' MET . 0.0 OUTLIER -61.74 -33.85 74.79 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.969 0.414 . . . . 0.0 110.942 -179.47 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -83.08 -41.96 17.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.5 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.53 -48.82 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.051 0.453 . . . . 0.0 110.86 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' B' ' 55' ' ' VAL . 3.1 mm? -59.94 -54.8 41.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.319 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 30.0 m -55.83 -25.33 41.25 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.732 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -92.46 -76.61 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.914 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -57.81 -25.64 60.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.471 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' B' ' 51' ' ' LEU . 19.9 t -118.29 148.76 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.273 0.559 . . . . 0.0 110.757 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -92.8 88.8 6.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.207 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 m -142.88 132.74 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.015 0.436 . . . . 0.0 110.301 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.617 ' C ' ' H ' ' B' ' 60' ' ' ASP . 29.5 t -81.65 141.69 33.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.25 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 8.5 mt -53.56 -1.12 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.711 0.291 . . . . 0.0 111.223 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . 0.617 ' H ' ' C ' ' B' ' 58' ' ' SER . 32.8 t70 -88.4 -20.75 24.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.45 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -101.42 13.18 35.82 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.639 0.257 . . . . 0.0 110.655 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.406 ' N ' ' CD1' ' B' ' 62' ' ' ILE . 1.6 mp -92.46 110.18 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.947 0.404 . . . . 0.0 110.7 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -95.55 123.63 39.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.822 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 96.1 mt -123.38 138.97 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.747 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.6 t -153.11 96.39 2.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.156 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -87.24 152.74 22.05 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -147.63 147.2 29.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.539 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -139.53 137.6 35.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.699 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.14 128.53 0.1 Allowed 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.665 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' B' ' 72' ' ' MET . 22.4 t0 54.64 55.65 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.835 0.35 . . . . 0.0 110.82 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 47.54 14.48 0.21 Allowed Glycine 0 CA--C 1.52 0.364 0 N-CA-C 111.296 -0.721 . . . . 0.0 111.296 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.473 ' H ' ' C ' ' B' ' 70' ' ' ASP . 55.1 tpp -113.1 98.92 7.45 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . 0.53 ' CG ' HH22 ' B' ' 30' ' ' ARG . 92.5 m-20 -89.85 140.84 29.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.316 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 83.6 t -133.4 118.56 31.75 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.507 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 6.1 tp -106.32 104.83 14.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -89.46 118.78 29.36 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.967 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tp -124.63 130.14 51.87 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.767 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . 0.458 HD21 ' N ' ' B' ' 79' ' ' ILE . 0.8 OUTLIER -132.48 123.24 26.23 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.129 179.127 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.458 ' N ' HD21 ' B' ' 78' ' ' ASN . 1.6 mp -123.3 151.66 27.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.448 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 29.4 m -114.09 115.74 28.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.678 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.447 ' O ' ' OD1' ' B' ' 20' ' ' ASP . 9.9 mp -86.11 117.73 69.2 Favored Pre-proline 0 C--O 1.245 0.843 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.627 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo . . . . . 0 C--N 1.317 -1.091 0 C-N-CA 122.578 2.186 . . . . 0.0 111.933 179.052 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.437 ' HG3' ' H ' ' A' ' 20' ' ' ASP . 2.8 tpt180 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.931 0.396 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.437 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 86.7 m-20 -132.33 145.86 51.57 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.317 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.0 ttm105 -137.35 156.87 47.71 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.709 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.88 100.52 4.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.867 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -94.65 97.1 9.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.98 0.419 . . . . 0.0 110.333 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -98.6 108.57 22.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.296 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 94.8 mt -111.37 121.3 63.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 86.6 mt -114.02 118.57 58.77 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.116 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.2 97.17 6.9 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.418 ' NE2' ' CD1' ' A' ' 39' ' ' TYR . 6.6 tt0 -101.47 141.34 34.49 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.858 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 12.7 mp0 -134.88 111.89 10.23 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.271 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -117.54 137.43 52.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.029 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.07 179.246 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 9.4 p90 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.814 0.34 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.487 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 3.0 mt -56.49 -61.92 5.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.769 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 40' ' ' LEU . 48.2 Cg_endo -67.77 -11.66 32.84 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.735 2.29 . . . . 0.0 112.095 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.7 m -76.87 -53.1 8.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.06 -42.9 83.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.592 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -58.86 -50.95 72.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.56 ' CB ' ' HZ3' ' A' ' 45' ' ' LYS . 2.0 ttmp? -55.76 -46.87 77.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.05 -37.89 84.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.941 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.94 -41.98 73.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.132 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.1 mmt -66.1 -30.08 70.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.413 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -84.36 -43.83 14.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' TYR . 42.4 t -64.68 -50.01 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.759 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.514 ' O ' ' O ' ' A' ' 55' ' ' VAL . 67.8 mt -60.25 -55.63 31.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.118 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.3 t -51.46 -25.62 6.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.946 0.403 . . . . 0.0 110.667 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -95.45 -70.54 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.369 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' VAL . 43.8 m-85 -62.13 -25.53 67.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' A' ' 51' ' ' LEU . 23.1 t -120.13 156.05 23.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.285 0.564 . . . . 0.0 110.828 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -101.69 90.45 4.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.824 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.17 130.24 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.302 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.595 ' C ' ' H ' ' A' ' 60' ' ' ASP . 70.0 m -83.79 143.56 29.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.455 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.442 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 4.4 mm? -51.49 -4.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.946 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.595 ' H ' ' C ' ' A' ' 58' ' ' SER . 97.8 m-20 -88.49 -22.86 23.42 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.186 0.517 . . . . 0.0 110.704 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -96.96 11.38 36.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.93 0.395 . . . . 0.0 110.816 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 63' ' ' ARG . 1.7 mp -92.86 159.63 2.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.09 0.471 . . . . 0.0 109.852 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.494 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 67.0 ttt180 -132.38 109.47 9.87 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.646 177.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.404 HG23 HD13 ' A' ' 64' ' ' ILE . 22.5 mm -94.84 120.95 44.98 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.192 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 76' ' ' GLU . 2.7 p -148.11 100.91 3.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.153 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -99.06 150.28 22.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.839 0.352 . . . . 0.0 110.449 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -145.5 141.64 28.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.012 0.434 . . . . 0.0 110.701 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -152.68 133.92 14.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.628 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -174.28 116.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.69 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 72' ' ' MET . 15.5 t0 72.8 62.99 0.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.033 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 44.21 16.05 0.05 OUTLIER Glycine 0 C--O 1.239 0.437 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.528 ' N ' ' O ' ' A' ' 70' ' ' ASP . 54.0 ttm -109.08 108.57 19.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.021 0.439 . . . . 0.0 110.287 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -95.59 120.17 35.37 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.33 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.9 t -122.75 108.47 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 121.041 0.448 . . . . 0.0 110.324 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 tt -94.55 110.21 22.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.571 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.457 ' O ' ' OG ' ' A' ' 65' ' ' SER . 83.3 tt0 -97.71 118.67 34.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.127 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.6 tp -135.62 130.76 34.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.627 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -132.04 130.57 41.52 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.206 0.527 . . . . 0.0 110.361 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.9 mp -128.64 150.35 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.807 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.4 m -116.9 113.79 22.95 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 mp -83.71 140.79 41.04 Favored Pre-proline 0 C--O 1.238 0.496 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo . . . . . 0 C--N 1.31 -1.463 0 C-N-CA 122.762 2.308 . . . . 0.0 112.396 179.911 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' ARG . . . . . 0.432 ' HG3' ' H ' ' B' ' 20' ' ' ASP . 2.8 tpt180 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.432 ' H ' ' HG3' ' B' ' 19' ' ' ARG . 86.2 m-20 -132.33 145.6 51.38 Favored 'General case' 0 C--N 1.335 -0.03 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.359 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 21' ' ' ARG . 28.2 ttm105 -137.11 156.57 48.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.699 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.48 100.57 4.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -94.44 96.88 9.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.03 0.443 . . . . 0.0 110.244 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -98.68 108.51 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.434 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 90.5 mt -111.17 122.47 65.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 86.2 mt -115.13 118.13 57.82 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.058 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.77 96.66 6.54 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.404 ' NE2' ' CD1' ' B' ' 39' ' ' TYR . 6.7 tt0 -100.77 141.08 34.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.41 . . . . 0.0 110.926 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' B' ' 29' ' ' GLU . 10.4 mp0 -134.34 111.93 10.59 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.303 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -117.92 138.01 52.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.973 0.415 . . . . 0.0 111.028 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.223 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.101 179.348 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' B' ' 40' ' ' LEU . 9.2 p90 . . . . . 0 N--CA 1.458 -0.026 0 CA-C-O 120.871 0.367 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.477 ' CB ' ' CD ' ' B' ' 41' ' ' PRO . 3.2 mt -55.34 -61.47 6.0 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.669 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' B' ' 40' ' ' LEU . 45.5 Cg_endo -67.83 -11.93 33.73 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.762 2.308 . . . . 0.0 112.045 178.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.7 m -77.14 -52.9 8.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.274 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.16 -42.77 83.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -59.21 -50.59 73.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.769 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . 0.55 ' CB ' ' HZ3' ' B' ' 45' ' ' LYS . 1.9 ttmp? -56.15 -46.68 79.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.552 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.15 -37.64 83.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.26 -42.02 72.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.141 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 17.6 mmt -65.92 -30.28 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.481 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -84.3 -43.68 14.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' B' ' 54' ' ' TYR . 42.0 t -64.94 -49.77 78.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.736 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.515 ' O ' ' O ' ' B' ' 55' ' ' VAL . 76.9 mt -60.24 -55.71 30.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.163 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.5 t -51.71 -25.39 7.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.957 0.408 . . . . 0.0 110.691 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -95.57 -70.7 0.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.284 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.468 ' N ' ' O ' ' B' ' 50' ' ' VAL . 44.7 m-85 -62.18 -25.55 67.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.515 ' O ' ' O ' ' B' ' 51' ' ' LEU . 25.2 t -120.13 156.38 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.262 0.553 . . . . 0.0 110.762 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -101.76 91.04 4.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.661 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.59 130.15 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.291 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' SER . . . . . 0.617 ' C ' ' H ' ' B' ' 60' ' ' ASP . 70.8 m -83.71 143.29 30.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.426 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' B' ' 59' ' ' LEU . 4.4 mm? -51.34 -4.56 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.951 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . 0.617 ' H ' ' C ' ' B' ' 58' ' ' SER . 97.0 m-20 -88.75 -22.99 23.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.158 0.504 . . . . 0.0 110.708 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -96.83 11.27 36.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.9 0.381 . . . . 0.0 110.786 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' B' ' 63' ' ' ARG . 1.7 mp -92.82 159.62 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.121 0.486 . . . . 0.0 109.803 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.48 ' N ' ' CG2' ' B' ' 62' ' ' ILE . 66.8 ttt180 -131.84 109.72 10.31 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.66 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . 0.431 HG23 HD13 ' B' ' 64' ' ' ILE . 25.7 mm -95.2 121.0 45.37 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.989 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.483 ' OG ' ' O ' ' B' ' 76' ' ' GLU . 2.7 p -148.57 102.1 3.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -100.19 150.39 22.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.969 0.414 . . . . 0.0 110.355 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -145.03 142.27 29.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.667 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -153.26 133.45 13.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.704 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -173.89 116.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.684 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' B' ' 72' ' ' MET . 16.2 t0 72.46 63.69 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 44.31 15.34 0.04 OUTLIER Glycine 0 C--O 1.239 0.441 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.533 ' N ' ' O ' ' B' ' 70' ' ' ASP . 4.6 tpp -108.25 109.67 21.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.001 0.429 . . . . 0.0 110.469 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -96.87 120.5 37.32 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.315 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 43.1 t -123.45 108.67 21.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.027 0.441 . . . . 0.0 110.392 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 tt -94.54 110.74 22.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.609 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.483 ' O ' ' OG ' ' B' ' 65' ' ' SER . 82.2 tt0 -98.2 118.04 33.94 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.152 0.501 . . . . 0.0 110.128 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 11.4 tp -135.15 130.68 35.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.65 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -131.79 130.68 42.14 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.225 0.535 . . . . 0.0 110.425 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.9 mp -128.65 150.49 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.803 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 4.6 m -117.08 112.88 21.52 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.066 0.46 . . . . 0.0 109.769 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 mp -82.71 140.98 44.17 Favored Pre-proline 0 C--O 1.24 0.602 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.789 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo . . . . . 0 C--N 1.311 -1.404 0 C-N-CA 122.777 2.318 . . . . 0.0 112.416 179.888 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.412 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -71.76 134.2 46.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.684 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.404 ' N ' ' CD1' ' A' ' 3' ' ' LEU . 10.6 mp -64.83 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.793 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 71.6 mt -46.37 -27.65 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.522 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.579 ' O ' ' N ' ' A' ' 9' ' ' GLY . 96.9 mt-10 -75.2 -49.05 20.68 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.97 -42.97 94.11 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.902 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.33 -39.88 92.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.885 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.589 ' CE2' ' SD ' ' B' ' 72' ' ' MET . 93.8 m-85 -119.41 23.58 11.16 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.546 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 5' ' ' GLU . . . -72.79 21.35 0.96 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.571 HH11 ' HG2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -100.66 74.77 1.69 Allowed 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.162 0.506 . . . . 0.0 110.604 -179.658 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 10' ' ' ARG . 7.5 mmtp 46.08 -170.54 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.282 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -83.26 117.21 22.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.234 0.54 . . . . 0.0 110.209 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.568 ' O ' ' O ' ' A' ' 14' ' ' THR . 80.5 tttt -66.73 -31.74 72.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.151 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.568 ' O ' ' O ' ' A' ' 13' ' ' LYS . 2.0 p 37.25 -170.79 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.179 0.514 . . . . 0.0 111.212 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 14' ' ' THR . . . 60.64 132.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.767 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.6 p -84.48 123.88 30.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.237 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 t -72.58 -22.8 20.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.453 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.27 14.64 5.78 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.496 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.407 HH21 HG23 ' A' ' 80' ' ' THR . 14.5 mtp180 -147.18 177.63 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.278 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -121.35 150.17 41.86 Favored 'General case' 0 C--O 1.227 -0.091 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.779 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.426 ' CG ' HD22 ' A' ' 78' ' ' ASN . 43.7 ttm180 -137.4 156.2 48.47 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.85 123.8 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.782 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -121.57 95.62 4.75 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.712 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.405 HD11 HG21 ' A' ' 24' ' ' ILE . 80.3 mt -99.16 114.3 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.271 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -103.57 120.34 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.83 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 86.1 mt -107.22 127.45 62.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.315 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.55 93.3 3.81 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.94 0.4 . . . . 0.0 110.007 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.597 ' NE2' ' CD2' ' A' ' 40' ' ' LEU . 18.6 tt0 -92.41 124.2 36.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.573 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -120.07 121.71 39.47 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -126.77 136.04 51.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.937 0.398 . . . . 0.0 110.59 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -85.54 154.94 21.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.969 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -37.46 -31.19 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.793 0.33 . . . . 0.0 111.023 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 31' ' ' ALA . 47.6 tp10 -66.43 134.64 52.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.898 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.95 154.49 30.06 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -144.34 -167.31 2.59 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 110.549 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.506 ' O ' ' O ' ' A' ' 37' ' ' PRO . 7.0 m 52.31 85.2 0.19 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.83 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.506 ' O ' ' O ' ' A' ' 36' ' ' THR . 29.5 Cg_exo -53.25 -132.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.52 2.147 . . . . 0.0 112.5 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 21.0 t0 84.92 64.58 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 178.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -144.16 -36.69 0.33 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.072 0.463 . . . . 0.0 110.256 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.597 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 4.0 mm? -65.02 -59.94 9.05 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.751 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.15 -11.86 33.04 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.127 1.885 . . . . 0.0 112.059 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.1 m -75.04 -53.57 8.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.85 0.357 . . . . 0.0 110.962 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.47 -42.11 92.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -59.34 -43.43 92.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.686 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.59 -49.99 75.32 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.464 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.98 -33.5 74.43 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.001 0.429 . . . . 0.0 110.655 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.2 mt -73.22 -40.04 65.02 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.166 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.1 mmt -65.16 -37.58 87.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.841 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -81.6 -41.71 21.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.253 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.423 ' O ' ' N ' ' A' ' 54' ' ' TYR . 45.1 t -64.49 -49.19 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.233 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 55' ' ' VAL . 68.1 mt -61.54 -50.6 72.01 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.41 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.0 p -52.86 -28.99 25.47 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.646 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -93.35 -66.08 0.95 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.47 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 50' ' ' VAL . 37.2 m-85 -61.84 -26.89 68.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.314 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 51' ' ' LEU . 38.8 t -121.39 153.13 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.934 0.397 . . . . 0.0 110.629 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -95.37 74.98 3.34 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.418 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.9 m -131.92 129.2 60.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 110.343 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.587 ' C ' ' H ' ' A' ' 60' ' ' ASP . 47.9 t -83.49 142.85 30.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.552 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.439 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 4.3 mm? -52.51 -4.19 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.604 0.24 . . . . 0.0 110.575 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.587 ' H ' ' C ' ' A' ' 58' ' ' SER . 97.3 m-20 -84.71 -21.19 30.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -105.12 17.59 23.81 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.6 0.238 . . . . 0.0 110.802 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -95.04 113.75 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -97.44 121.49 39.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.42 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.66 138.56 48.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.462 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 t -153.08 97.26 2.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.24 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -87.26 150.74 23.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.257 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -148.53 102.73 3.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.198 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -98.72 152.1 20.03 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.624 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -163.71 108.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 51.94 -118.04 1.23 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.658 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.25 18.12 54.61 Favored Glycine 0 N--CA 1.467 0.766 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.593 ' SD ' ' CE2' ' B' ' 8' ' ' PHE . 49.1 ttm -129.78 126.78 38.96 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.016 0.436 . . . . 0.0 110.541 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -124.85 144.97 50.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.887 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.4 t -137.59 117.35 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.53 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -105.91 112.79 25.99 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.175 0.512 . . . . 0.0 109.985 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -94.5 117.52 30.25 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.293 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.6 tp -123.55 126.05 45.97 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.932 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.426 HD22 ' CG ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -125.92 121.25 32.6 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.867 179.302 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.7 mp -117.71 138.89 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.407 HG23 HH21 ' A' ' 19' ' ' ARG . 2.9 m -106.26 112.26 25.2 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.6 mp -78.45 121.39 83.67 Favored Pre-proline 0 C--O 1.243 0.719 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.189 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.14 177.09 9.2 Favored 'Trans proline' 0 N--CA 1.485 1.024 0 C-N-CA 122.027 1.818 . . . . 0.0 112.232 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -124.6 130.5 52.55 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.196 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -175.07 40.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.434 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -63.12 -40.21 96.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.135 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 84.6 tttt 60.49 145.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.464 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.6 m -52.89 -176.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.5 mp -97.42 123.59 41.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.251 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.883 -1.056 . . . . 0.0 110.542 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.405 ' C ' ' SD ' ' B' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -71.35 134.37 46.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.682 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.4 ' CD1' ' N ' ' B' ' 3' ' ' LEU . 10.6 mp -64.89 -38.12 89.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 71.8 mt -46.68 -27.24 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.452 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.577 ' O ' ' N ' ' B' ' 9' ' ' GLY . 96.0 mt-10 -75.46 -49.52 18.6 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.916 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mp -64.28 -43.03 96.07 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.862 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.33 -40.28 93.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.878 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . 0.593 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 94.2 m-85 -119.25 25.15 10.32 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.631 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' B' ' 5' ' ' GLU . . . -76.21 19.47 2.93 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.921 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.636 ' CG ' HH11 ' B' ' 10' ' ' ARG . 0.0 OUTLIER -101.23 72.98 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.236 0.541 . . . . 0.0 110.42 -179.514 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.484 ' N ' ' CD ' ' B' ' 11' ' ' LYS . 0.8 OUTLIER 52.68 -175.06 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.242 179.422 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.52 122.29 26.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.164 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.589 ' O ' ' O ' ' B' ' 14' ' ' THR . 79.2 tttt -89.28 44.7 1.23 Allowed 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.557 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.589 ' O ' ' O ' ' B' ' 13' ' ' LYS . 6.3 p -43.48 -178.54 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.162 0.506 . . . . 0.0 110.664 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' B' ' 14' ' ' THR . . . 80.67 132.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 81.3 p -85.35 124.32 31.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.503 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 t -72.7 -22.89 20.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.405 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.22 14.77 5.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.577 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.424 HH21 HG23 ' B' ' 80' ' ' THR . 14.6 mtp180 -147.35 177.77 8.95 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.228 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -121.59 149.83 42.57 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.811 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.424 ' CG ' HD22 ' B' ' 78' ' ' ASN . 43.7 ttm180 -136.86 156.15 48.85 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.82 123.75 22.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.83 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -121.47 95.3 4.62 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.885 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.424 HG21 HD11 ' B' ' 24' ' ' ILE . 79.6 mt -98.98 114.08 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.309 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -103.38 120.36 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.928 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.5 mt -107.2 127.62 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.347 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.74 93.32 3.81 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.963 0.411 . . . . 0.0 110.033 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.595 ' NE2' ' CD2' ' B' ' 40' ' ' LEU . 18.4 tt0 -92.57 123.67 36.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.536 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -119.71 121.42 39.19 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -126.43 135.76 51.8 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.526 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' B' ' 33' ' ' GLU . . . -85.13 154.43 22.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.982 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -36.94 -30.98 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.839 0.352 . . . . 0.0 110.997 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' B' ' 31' ' ' ALA . 47.8 tp10 -66.63 134.23 51.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.826 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.96 155.12 29.64 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -145.65 -168.46 2.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.986 0.422 . . . . 0.0 110.382 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 9.5 m 55.52 82.68 0.24 Allowed Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.787 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.417 ' O ' ' HB2' ' B' ' 38' ' ' ASP . 33.6 Cg_endo -75.03 152.14 40.24 Favored 'Trans proline' 0 N--CA 1.487 1.088 0 C-N-CA 121.91 1.74 . . . . 0.0 110.704 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' B' ' 37' ' ' PRO . 65.3 t0 167.54 59.11 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -131.06 -33.21 1.55 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.707 0.289 . . . . 0.0 111.046 -179.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.595 ' CD2' ' NE2' ' B' ' 28' ' ' GLN . 3.9 mm? -63.61 -60.71 8.54 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.092 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -66.51 -11.8 33.16 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 122.326 2.017 . . . . 0.0 111.779 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 93.6 m -74.95 -53.71 8.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.923 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.62 -42.12 91.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.63 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -59.42 -43.46 93.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.511 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.59 -49.84 75.93 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.415 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.13 -33.44 74.49 Favored 'General case' 0 CA--C 1.512 -0.519 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.658 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.3 -39.97 64.89 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.133 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 17.2 mmt -65.25 -37.55 87.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.822 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -81.62 -41.61 21.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 43.4 t -64.58 -49.16 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' B' ' 55' ' ' VAL . 69.9 mt -61.46 -50.7 71.73 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.454 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -52.76 -29.17 25.75 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.648 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -93.27 -66.07 0.95 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.885 0.374 . . . . 0.0 111.443 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -61.87 -26.91 68.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.383 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' B' ' 51' ' ' LEU . 38.8 t -121.25 153.32 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 121.011 0.434 . . . . 0.0 110.581 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -95.56 74.92 3.25 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.489 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 4.0 m -131.85 129.37 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.904 0.383 . . . . 0.0 110.364 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.606 ' C ' ' H ' ' B' ' 60' ' ' ASP . 46.8 t -83.5 142.73 30.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.529 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.443 ' CD2' ' N ' ' B' ' 59' ' ' LEU . 4.3 mm? -52.54 -3.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.708 0.29 . . . . 0.0 110.655 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . 0.606 ' H ' ' C ' ' B' ' 58' ' ' SER . 96.9 m-20 -84.94 -21.02 29.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -105.17 17.15 24.54 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.575 0.226 . . . . 0.0 110.755 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -94.77 113.81 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -97.51 121.56 39.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.432 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . 0.423 HD11 HG21 ' B' ' 64' ' ' ILE . 96.8 mt -118.93 138.6 49.13 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.544 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.4 t -152.96 97.28 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.291 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -87.25 150.61 23.78 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.293 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -148.28 102.72 3.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.183 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -98.92 150.7 21.66 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -161.96 109.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.243 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 51.3 -117.54 1.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.674 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.46 17.99 54.33 Favored Glycine 0 N--CA 1.468 0.782 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.589 ' SD ' ' CE2' ' A' ' 8' ' ' PHE . 49.4 ttm -129.6 125.79 36.98 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.028 0.442 . . . . 0.0 110.585 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -123.85 144.88 49.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.968 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 84.3 t -137.63 117.26 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.384 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -105.95 112.96 26.22 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.134 0.492 . . . . 0.0 109.776 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -94.65 117.47 30.17 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.271 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tp -123.42 126.22 46.39 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.929 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . 0.424 HD22 ' CG ' ' B' ' 21' ' ' ARG . 0.5 OUTLIER -126.09 121.42 32.86 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.882 179.3 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.7 mp -117.85 139.16 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' THR . . . . . 0.424 HG23 HH21 ' B' ' 19' ' ' ARG . 2.9 m -106.53 112.08 24.93 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.34 121.2 83.49 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.083 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.15 176.75 9.64 Favored 'Trans proline' 0 N--CA 1.486 1.049 0 C-N-CA 122.074 1.849 . . . . 0.0 112.248 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -124.39 130.47 52.54 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.192 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -174.78 40.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.468 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -63.1 -40.27 97.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.127 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 84.4 tttt 60.56 146.26 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.469 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 17.4 m -53.44 -176.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.5 mp -96.83 123.67 40.6 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.293 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.586 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.7 t -152.74 144.66 23.68 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.949 0.404 . . . . 0.0 110.48 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mp -62.98 -36.1 82.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.796 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 56.1 mt -54.0 -31.37 21.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.358 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 9' ' ' GLY . 97.0 mt-10 -74.23 -46.38 42.1 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.5 mt -65.1 -42.65 93.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.915 0.388 . . . . 0.0 111.301 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.2 mt -62.3 -42.16 99.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.784 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.604 ' CE2' ' SD ' ' B' ' 72' ' ' MET . 96.5 m-85 -118.17 29.62 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.369 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 5' ' ' GLU . . . -68.64 33.52 0.27 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.575 ' H ' ' C ' ' A' ' 8' ' ' PHE . 99.7 mtt180 -62.39 139.54 58.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.336 . . . . 0.0 110.337 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -48.98 -32.35 9.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.53 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -146.15 143.51 29.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.48 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -69.6 132.77 46.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.404 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.0 m -77.5 135.44 38.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.721 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.58 168.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.514 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.414 ' HG1' ' CG ' ' B' ' 32' ' ' GLN . 11.2 m -65.92 131.13 45.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.661 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.2 p -120.53 23.12 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.414 ' O ' ' O ' ' A' ' 19' ' ' ARG . . . 47.87 -160.91 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.085 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' ' 18' ' ' ALA . 0.4 OUTLIER 43.65 -170.71 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.445 -179.696 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' B' ' 29' ' ' GLU . 12.0 t70 -146.41 164.91 30.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.35 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 98.0 mtt180 -135.36 153.64 51.77 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.419 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.36 98.4 4.23 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.258 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -95.42 97.49 9.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.796 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.7 mt -101.76 109.48 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.44 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.419 HG22 HD13 ' A' ' 25' ' ' ILE . 19.4 mm -102.31 126.6 56.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.911 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.7 mt -116.87 134.61 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.351 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.11 109.47 9.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.145 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -101.93 126.0 48.74 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.536 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' B' ' 20' ' ' ASP . 81.6 tt0 -123.22 110.23 14.98 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.7 mtm-85 -105.35 138.76 41.03 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.746 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -68.94 116.51 9.49 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.33 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.473 ' O ' ' C ' ' A' ' 33' ' ' GLU . 24.2 pt20 -43.27 -16.98 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' ALA . 12.2 tm-20 -26.47 -75.96 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.67 0.606 . . . . 0.0 111.149 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.513 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -179.64 95.48 0.1 OUTLIER Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -173.41 159.89 3.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.869 0.366 . . . . 0.0 110.566 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 m -160.61 64.9 2.18 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.438 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -78.24 -173.68 1.94 Allowed 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.9 2.4 . . . . 0.0 111.895 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -147.46 74.85 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.823 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -96.51 0.43 50.2 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.502 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 8.0 mt -68.88 -49.11 27.89 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.414 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 60.6 Cg_endo -75.26 -12.96 21.01 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 122.324 2.016 . . . . 0.0 111.798 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.4 m -76.71 -54.03 7.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.662 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.26 -42.22 88.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -58.83 -43.5 90.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.789 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -62.39 -47.74 82.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.719 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.5 -36.34 80.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.021 0.439 . . . . 0.0 110.812 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.0 mt -71.91 -41.56 67.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.145 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.7 mmt -65.83 -33.5 75.98 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.769 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -83.61 -41.71 17.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 54' ' ' TYR . 47.7 t -65.15 -48.71 82.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.186 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.486 ' O ' ' O ' ' A' ' 55' ' ' VAL . 70.2 mt -60.76 -55.86 28.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.078 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -50.85 -27.13 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.811 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -94.63 -69.92 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.474 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' VAL . 44.8 m-85 -61.38 -26.25 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.5 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.486 ' O ' ' O ' ' A' ' 51' ' ' LEU . 25.9 t -118.77 152.66 21.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 121.202 0.525 . . . . 0.0 110.569 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -97.88 87.19 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.427 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.96 133.17 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.268 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.584 ' C ' ' H ' ' A' ' 60' ' ' ASP . 13.0 t -86.04 143.5 28.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.165 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.9 mt -52.63 -4.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.87 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.584 ' H ' ' C ' ' A' ' 58' ' ' SER . 98.3 m-20 -84.15 -23.04 30.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.713 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -103.08 13.63 33.71 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.777 0.322 . . . . 0.0 110.536 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -97.69 116.22 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.092 0.472 . . . . 0.0 110.226 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.1 ttm-85 -93.93 117.47 30.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.277 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.3 mm -107.3 131.07 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 CA-C-O 121.15 0.5 . . . . 0.0 111.02 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -146.16 130.86 17.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.888 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -130.67 152.91 49.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.25 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -144.13 107.6 4.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.235 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -86.05 136.85 33.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.503 ' O ' ' O ' ' A' ' 72' ' ' MET . 10.5 tp-100 -154.28 151.36 29.03 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' A' ' 72' ' ' MET . 47.3 m-20 -30.63 130.76 0.1 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.723 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 70' ' ' ASP . . . 22.71 38.59 0.01 OUTLIER Glycine 0 CA--C 1.532 1.121 0 O-C-N 123.898 0.749 . . . . 0.0 112.159 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.621 ' N ' ' O ' ' A' ' 70' ' ' ASP . 52.3 tpp -156.05 141.95 18.05 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-O 121.576 0.703 . . . . 0.0 110.539 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -147.17 141.8 26.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.234 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.91 117.36 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 tt -107.01 104.58 14.28 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.054 0.454 . . . . 0.0 110.178 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -88.49 127.37 35.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.126 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.407 ' C ' HD21 ' A' ' 78' ' ' ASN . 61.3 tp -131.81 124.1 28.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.305 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.407 HD21 ' C ' ' A' ' 77' ' ' LEU . 7.1 m120 -127.51 123.07 35.03 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.273 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.5 mp -122.37 147.99 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 120.764 0.316 . . . . 0.0 110.276 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -116.84 110.87 18.92 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.609 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.0 mp -80.44 141.49 52.98 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.926 -179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -74.82 171.71 17.72 Favored 'Trans proline' 0 N--CA 1.488 1.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.114 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.563 ' O ' ' O ' ' A' ' 84' ' ' GLN . 62.6 tt0 -96.49 146.53 24.71 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.563 ' O ' ' O ' ' A' ' 83' ' ' GLU . 72.5 mt-30 33.86 -164.09 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.64 0.587 . . . . 0.0 111.271 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -94.56 171.41 8.82 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -58.19 142.01 48.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.071 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.9 m -121.42 162.93 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.619 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 53.0 mt -88.79 127.38 35.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.185 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.455 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 35.8 t -150.5 144.87 25.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.647 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mp -62.97 -35.89 81.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 55.8 mt -54.02 -31.01 20.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.172 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' B' ' 9' ' ' GLY . 99.2 mt-10 -74.85 -46.46 36.28 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 179.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 60.8 mt -64.56 -42.88 95.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.943 0.401 . . . . 0.0 111.132 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 59.2 mt -62.64 -42.18 99.45 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.962 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . 0.586 ' C ' ' H ' ' B' ' 10' ' ' ARG . 96.0 m-85 -118.36 29.73 7.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.613 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' B' ' 5' ' ' GLU . . . -68.88 32.04 0.29 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.586 ' H ' ' C ' ' B' ' 8' ' ' PHE . 99.7 mtt180 -60.62 134.81 57.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 0.0 110.197 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -44.18 -33.78 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.5 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -144.98 143.57 30.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.408 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -69.74 132.46 46.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.438 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -77.0 138.01 39.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.685 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.7 170.69 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.537 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 9.6 m -67.56 130.17 42.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.777 -179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 9.4 p -119.68 23.3 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 121.142 0.496 . . . . 0.0 110.807 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.413 ' O ' ' O ' ' B' ' 19' ' ' ARG . . . 47.34 -160.75 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.294 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' B' ' 18' ' ' ALA . 0.4 OUTLIER 43.95 -170.29 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.489 -179.643 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 29' ' ' GLU . 15.0 t70 -146.5 164.7 31.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.441 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.436 ' N ' ' CG ' ' B' ' 20' ' ' ASP . 97.9 mtt180 -135.37 153.72 51.73 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.368 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.77 98.22 4.12 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.369 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -95.29 97.51 9.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.82 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.405 HD12 HG21 ' B' ' 24' ' ' ILE . 89.1 mt -101.72 109.72 26.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.43 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.43 HG22 HD13 ' B' ' 25' ' ' ILE . 21.6 mm -102.25 125.76 56.42 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.984 -179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 91.6 mt -115.81 133.54 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.364 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.38 110.17 10.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.225 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -102.71 126.43 49.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.694 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 82.1 tt0 -123.71 109.54 13.83 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 49.2 mtm-85 -105.1 139.22 40.09 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.513 ' O ' ' N ' ' B' ' 33' ' ' GLU . . . -69.49 117.41 11.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.521 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.475 ' O ' ' C ' ' B' ' 33' ' ' GLU . 26.1 pt20 -43.48 -17.01 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.109 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' B' ' 34' ' ' GLY . 11.8 tm-20 -26.63 -76.99 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.63 0.581 . . . . 0.0 111.136 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.526 ' N ' ' OE1' ' B' ' 33' ' ' GLU . . . -178.79 95.31 0.1 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -173.1 159.7 3.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.339 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 9.3 m -160.34 64.76 2.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.528 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -77.98 -173.8 1.97 Allowed 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.768 2.312 . . . . 0.0 111.94 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -147.8 74.6 1.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.811 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -96.13 -0.52 50.06 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.633 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.497 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 8.5 mt -67.5 -48.94 43.51 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.392 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.497 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 61.1 Cg_endo -75.31 -13.13 20.88 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 122.366 2.044 . . . . 0.0 111.725 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 93.8 m -76.37 -54.21 7.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.604 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.25 -42.65 88.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.562 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -58.38 -43.57 88.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.706 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -62.49 -47.69 82.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.587 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.55 -36.3 80.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.044 0.45 . . . . 0.0 110.807 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 86.4 mt -71.95 -41.15 68.11 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.129 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 24.5 mmt -66.28 -33.45 75.77 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.663 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -83.61 -42.15 17.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' B' ' 54' ' ' TYR . 47.7 t -64.73 -48.5 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.184 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' B' ' 55' ' ' VAL . 69.6 mt -61.01 -56.14 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.055 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.6 t -50.64 -27.07 6.19 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -94.68 -69.47 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.932 0.396 . . . . 0.0 111.56 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' B' ' 50' ' ' VAL . 44.8 m-85 -61.76 -26.1 67.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.507 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.487 ' O ' ' O ' ' B' ' 51' ' ' LEU . 30.6 t -119.28 151.78 21.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.23 0.538 . . . . 0.0 110.702 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -96.93 88.09 4.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.494 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 m -145.85 133.15 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.183 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.592 ' C ' ' H ' ' B' ' 60' ' ' ASP . 15.7 t -85.93 143.56 28.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.259 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 64.0 mt -52.66 -5.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.872 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . 0.592 ' H ' ' C ' ' B' ' 58' ' ' SER . 93.4 m-20 -83.96 -22.99 31.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.668 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -102.85 13.66 33.85 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.644 0.259 . . . . 0.0 110.479 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.37 116.41 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.3 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 55.7 ttm-85 -93.91 118.3 31.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.268 178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 mm -108.15 130.94 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -146.19 129.8 16.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.887 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -129.24 153.0 48.21 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.102 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -144.2 108.01 4.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.389 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -87.65 134.79 33.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.417 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.494 ' O ' ' O ' ' B' ' 70' ' ' ASP . 10.6 tp-100 -156.21 116.13 3.61 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.541 ' C ' ' H ' ' B' ' 72' ' ' MET . 78.6 m-20 27.54 -148.46 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 O-C-N 124.08 0.863 . . . . 0.0 110.633 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.85 42.22 0.2 Allowed Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.604 ' SD ' ' CE2' ' A' ' 8' ' ' PHE . 37.0 ttm -148.89 151.01 33.93 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-O 121.001 0.429 . . . . 0.0 110.667 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -152.51 141.64 21.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.166 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.87 118.26 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.295 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 4.2 tt -108.22 104.92 14.42 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.027 0.441 . . . . 0.0 110.247 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -88.29 128.81 35.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.202 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 56.0 tp -132.62 122.38 24.62 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.402 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -125.86 123.93 39.75 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.298 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.3 mp -123.41 147.59 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.776 0.322 . . . . 0.0 110.362 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -116.17 109.38 17.38 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 11.1 mp -79.73 140.03 54.69 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.12 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -74.97 165.72 30.75 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 122.726 2.284 . . . . 0.0 111.974 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' B' ' 84' ' ' GLN . 25.2 tt0 -74.8 -148.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.53 ' O ' ' O ' ' B' ' 83' ' ' GLU . 74.7 mt-30 -43.22 177.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.336 0.588 . . . . 0.0 110.768 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -65.97 167.24 10.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.686 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -55.24 145.0 22.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.326 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 28.4 m -122.82 162.18 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.591 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 54.9 mt -87.21 126.27 34.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.104 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.439 -179.906 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptp . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -72.45 127.08 31.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.539 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.2 mt -65.56 -33.22 75.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.707 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.5 mt -46.22 -26.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.446 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -75.76 -49.89 16.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.029 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.76 -43.91 95.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.593 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.24 -45.08 94.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.49 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.508 ' CD2' ' SD ' ' B' ' 72' ' ' MET . 99.3 m-85 -122.1 -82.88 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.892 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.2 -144.31 17.15 Favored Glycine 0 N--CA 1.465 0.589 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -84.27 -54.62 4.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.77 0.319 . . . . 0.0 110.714 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.7 mttt 46.1 -170.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.495 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -142.82 131.61 22.74 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.509 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -67.92 133.61 49.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.712 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.445 ' O ' ' O ' ' A' ' 15' ' ' ALA . 2.8 t -150.53 149.3 29.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.544 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 14' ' ' THR . . . 52.28 170.84 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.271 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.46 83.78 2.16 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.54 118.45 23.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.874 179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.445 ' O ' ' OE1' ' A' ' 83' ' ' GLU . . . -88.94 72.65 8.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.618 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 4.0 mtp180 -168.38 178.3 4.94 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.372 0.606 . . . . 0.0 110.559 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 19' ' ' ARG . 4.3 m-20 -139.64 167.01 23.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.464 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.683 ' CG ' HD22 ' A' ' 78' ' ' ASN . 60.0 ttp180 -137.33 156.01 48.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.598 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.27 107.57 6.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.571 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -101.43 101.29 11.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.323 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.0 mt -97.64 114.87 36.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.194 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.4 mt -111.6 124.12 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.161 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.405 HG21 HD12 ' A' ' 26' ' ' ILE . 89.5 mt -117.14 127.5 74.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.238 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.7 103.41 8.86 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.115 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -102.48 126.93 49.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.221 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.485 ' OE2' ' NE ' ' B' ' 21' ' ' ARG . 7.4 pt-20 -121.98 115.72 23.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.271 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.603 ' NH2' ' H ' ' A' ' 39' ' ' TYR . 93.0 mtt180 -108.83 117.69 34.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.31 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.528 ' O ' ' C ' ' A' ' 32' ' ' GLN . . . -78.54 148.92 33.2 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.528 ' C ' ' O ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -18.72 -74.16 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.989 0.806 . . . . 0.0 110.987 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -83.33 58.21 4.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.263 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -94.91 -81.02 1.53 Allowed Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.494 ' NE2' ' OH ' ' A' ' 39' ' ' TYR . 2.9 mt-30 -168.25 156.87 8.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.95 0.405 . . . . 0.0 110.217 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.578 ' N ' ' CD ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -92.7 -44.45 0.34 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.1 179.569 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 36' ' ' THR . 41.4 Cg_exo -55.57 134.62 65.01 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.236 1.957 . . . . 0.0 111.68 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.412 ' N ' ' OD1' ' A' ' 38' ' ' ASP . 36.8 p-10 -92.76 124.3 36.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.402 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.603 ' H ' ' NH2' ' A' ' 30' ' ' ARG . 47.1 m-85 -103.38 2.28 33.75 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.564 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -61.06 -46.52 96.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 7.7 Cg_exo -72.06 -14.96 29.19 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.933 2.422 . . . . 0.0 111.674 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.6 m -78.22 -55.22 5.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.32 -43.86 93.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.742 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -60.17 -43.23 96.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.801 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -62.75 -49.02 76.67 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.988 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.15 -31.42 67.2 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.793 -179.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.0 mt -75.49 -40.59 57.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.854 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.7 mmt -68.86 -39.15 80.03 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.499 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -61.92 -53.66 52.6 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.245 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.516 ' O ' ' N ' ' A' ' 54' ' ' TYR . 16.4 m -62.49 -62.13 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.453 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.497 ' H ' ' CG2' ' A' ' 50' ' ' VAL . 71.4 mt -43.9 -24.3 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.705 0.288 . . . . 0.0 111.049 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.0 t -76.12 -44.05 40.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.268 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -105.7 -47.36 3.92 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.923 0.392 . . . . 0.0 111.135 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.3 m-85 -57.37 -43.73 83.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.775 -178.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 47.3 t -111.42 161.71 9.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.38 . . . . 0.0 110.282 -179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -94.56 70.67 3.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.724 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.22 129.68 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.251 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.58 ' C ' ' H ' ' A' ' 60' ' ' ASP . 47.9 t -83.67 146.21 28.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.176 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 4.2 mm? -54.59 -2.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.765 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' A' ' 58' ' ' SER . 96.5 m-20 -86.01 -20.75 28.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.619 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -104.76 15.88 27.05 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.633 0.254 . . . . 0.0 110.714 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -92.88 117.82 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 110.52 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.7 ttm-85 -93.46 98.03 10.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.785 178.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 tp -97.94 132.63 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.004 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 t -153.67 95.34 1.88 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.127 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.469 ' CD ' ' N ' ' A' ' 67' ' ' GLU . 23.4 tm0? -87.03 151.6 23.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.493 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 66' ' ' GLN . 80.0 mt-10 -155.65 131.27 9.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.591 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -142.55 151.44 41.59 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -168.63 138.69 2.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.601 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.491 ' CG ' ' H ' ' A' ' 71' ' ' GLY . 63.6 t0 56.91 -123.26 1.72 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.319 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.491 ' H ' ' CG ' ' A' ' 70' ' ' ASP . . . -110.82 5.08 29.15 Favored Glycine 0 N--CA 1.465 0.608 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.5 ' SD ' ' CD2' ' B' ' 8' ' ' PHE . 37.5 ttm -112.33 123.86 51.2 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.886 0.374 . . . . 0.0 110.396 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.61 143.93 44.63 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.285 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 m -138.15 159.52 32.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 121.018 0.437 . . . . 0.0 110.149 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.87 131.22 28.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.598 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -113.34 115.5 28.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.987 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.7 tp -132.71 122.42 24.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.426 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.683 HD22 ' CG ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -126.02 123.1 37.69 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.879 179.222 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.61 ' N ' HD21 ' A' ' 78' ' ' ASN . 2.0 mp -118.15 141.51 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.902 0.382 . . . . 0.0 110.09 -179.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.5 m -110.62 109.1 19.26 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.962 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 10.2 mp -77.46 133.45 67.49 Favored Pre-proline 0 C--O 1.237 0.424 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.585 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -74.95 -172.26 1.2 Allowed 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.531 2.154 . . . . 0.0 112.186 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.445 ' OE1' ' O ' ' A' ' 18' ' ' ALA . 50.3 tp10 -86.15 -74.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.161 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -161.25 -57.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.65 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -80.72 144.75 31.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.391 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.94 19.3 20.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.658 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t 58.15 103.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.544 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' A' ' 88' ' ' LEU . 9.9 mp -78.58 140.4 38.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.35 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.578 179.841 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.2 ptp . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -69.92 126.96 31.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.509 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 58.3 mt -65.72 -32.7 74.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.731 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 61.6 mt -46.36 -26.65 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.532 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -76.25 -49.81 16.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.65 -43.88 95.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.474 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.49 -44.87 95.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.493 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . 0.5 ' CD2' ' SD ' ' A' ' 72' ' ' MET . 99.8 m-85 -122.23 -83.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.38 -145.13 17.46 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -83.51 -54.64 4.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.784 0.326 . . . . 0.0 110.624 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 88.2 mttt 46.22 -170.3 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.604 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -141.83 130.76 23.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.534 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -68.84 131.45 45.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.559 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.465 ' O ' ' O ' ' B' ' 15' ' ' ALA . 2.9 t -149.2 152.39 35.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.578 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' B' ' 14' ' ' THR . . . 50.94 171.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.481 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.6 83.1 2.09 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.942 0.401 . . . . 0.0 110.186 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 7.9 p -76.07 118.53 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.98 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.441 ' O ' ' OE1' ' B' ' 83' ' ' GLU . . . -88.96 73.22 8.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.469 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.44 ' O ' ' OD1' ' B' ' 20' ' ' ASP . 4.1 mtp180 -169.33 177.95 4.5 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.379 0.609 . . . . 0.0 110.605 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' B' ' 19' ' ' ARG . 4.1 m-20 -139.94 165.82 26.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.286 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.685 ' CG ' HD22 ' B' ' 78' ' ' ASN . 60.0 ttp180 -135.52 156.95 48.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.617 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.98 108.77 6.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.513 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -102.9 101.68 11.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.383 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 72.4 mt -97.93 115.13 37.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.241 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 91.5 mt -111.67 123.99 68.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.074 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.4 mt -117.36 127.32 74.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.195 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.46 103.46 8.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.158 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.454 HE22 HH21 ' B' ' 30' ' ' ARG . 57.3 tt0 -102.73 125.58 49.52 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.2 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.503 ' OE2' ' NE ' ' A' ' 21' ' ' ARG . 7.5 pt-20 -120.42 116.49 25.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.285 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.575 ' NH2' ' H ' ' B' ' 39' ' ' TYR . 94.6 mtt180 -109.63 117.49 34.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.323 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' B' ' 34' ' ' GLY . . . -78.01 148.4 34.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.775 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.513 ' C ' ' O ' ' B' ' 31' ' ' ALA . 0.4 OUTLIER -18.54 -73.6 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.1 0.875 . . . . 0.0 110.876 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -84.22 58.82 4.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.275 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' B' ' 31' ' ' ALA . . . -95.74 -79.68 1.47 Allowed Glycine 0 N--CA 1.465 0.593 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.508 ' NE2' ' OH ' ' B' ' 39' ' ' TYR . 2.9 mt-30 -169.05 156.56 7.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.018 0.437 . . . . 0.0 110.274 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' THR . . . . . 0.59 ' N ' ' CD ' ' B' ' 37' ' ' PRO . 0.1 OUTLIER -92.05 -44.92 0.35 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.172 179.595 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' B' ' 36' ' ' THR . 38.4 Cg_exo -55.28 134.77 65.74 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.189 1.926 . . . . 0.0 111.974 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -92.59 125.42 37.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.333 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.575 ' H ' ' NH2' ' B' ' 30' ' ' ARG . 46.0 m-85 -104.35 2.46 31.36 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.704 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.564 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 0.6 OUTLIER -61.1 -46.59 96.19 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 7.5 Cg_exo -71.77 -15.05 30.09 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.933 2.422 . . . . 0.0 111.786 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 92.9 m -78.52 -55.82 4.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.146 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.78 -44.08 94.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.605 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -60.0 -43.32 95.29 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.734 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -62.43 -49.62 74.75 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.991 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.58 -31.44 66.17 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.695 -179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.2 mt -75.49 -40.43 57.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.967 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 22.5 mmt -68.96 -39.24 79.62 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.505 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -61.97 -53.54 54.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.232 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.511 ' O ' ' N ' ' B' ' 54' ' ' TYR . 16.4 m -62.63 -62.41 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.539 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.51 ' H ' ' CG2' ' B' ' 50' ' ' VAL . 71.3 mt -43.67 -24.73 0.13 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.73 0.3 . . . . 0.0 111.064 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.1 t -75.59 -44.04 45.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.369 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -105.86 -47.59 3.84 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.977 0.418 . . . . 0.0 111.165 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' B' ' 50' ' ' VAL . 3.2 m-85 -57.03 -43.67 82.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.782 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 45.4 t -111.62 161.54 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.007 0.432 . . . . 0.0 110.29 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -94.37 70.31 3.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.824 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -136.72 129.76 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.175 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.605 ' C ' ' H ' ' B' ' 60' ' ' ASP . 46.7 t -83.62 146.24 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.069 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.469 ' CD2' ' N ' ' B' ' 59' ' ' LEU . 4.3 mm? -54.54 -3.04 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.41 0.444 . . . . 0.0 110.649 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . 0.605 ' H ' ' C ' ' B' ' 58' ' ' SER . 96.2 m-20 -85.55 -20.6 29.35 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -104.81 15.99 26.83 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.742 0.306 . . . . 0.0 110.749 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -93.03 117.69 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.467 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 60.2 ttm-85 -93.21 97.13 10.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.913 178.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 tp -97.0 132.18 42.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.103 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.4 t -153.72 95.24 1.86 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.706 -0.398 . . . . 0.0 109.969 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.449 ' CD ' ' N ' ' B' ' 67' ' ' GLU . 24.6 tm0? -87.16 151.87 22.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.638 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' B' ' 66' ' ' GLN . 79.4 mt-10 -155.68 131.11 9.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.617 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -142.39 151.06 41.47 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -168.45 139.01 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.584 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' B' ' 71' ' ' GLY . 57.9 t0 56.54 -123.57 1.8 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . 0.457 ' H ' ' CG ' ' B' ' 70' ' ' ASP . . . -110.67 6.07 29.6 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.508 ' SD ' ' CD2' ' A' ' 8' ' ' PHE . 39.7 ttm -113.43 124.19 51.85 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.935 0.398 . . . . 0.0 110.313 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -115.99 143.41 45.49 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.277 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.1 m -137.73 159.26 34.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 110.02 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.15 131.53 30.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.502 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -113.63 113.95 25.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.126 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 42.7 tp -131.34 122.89 27.15 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.537 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . 0.685 HD22 ' CG ' ' B' ' 21' ' ' ARG . 0.2 OUTLIER -126.36 122.89 36.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.944 179.251 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.601 ' N ' HD21 ' B' ' 78' ' ' ASN . 1.9 mp -117.77 141.83 34.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 120.781 0.324 . . . . 0.0 110.387 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 88.6 m -110.67 109.62 19.97 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' B' ' 81' ' ' LEU . 10.4 mp -78.08 133.09 65.51 Favored Pre-proline 0 C--O 1.237 0.439 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.667 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -75.17 -174.52 1.99 Allowed 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.65 2.234 . . . . 0.0 112.216 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 18' ' ' ALA . 49.4 tp10 -83.85 -75.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.233 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -160.97 -57.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.699 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -81.19 143.74 32.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.451 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.68 17.57 23.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.738 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t 59.45 103.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.487 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' B' ' 88' ' ' LEU . 9.8 mp -77.91 141.35 39.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.418 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.557 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 ttp . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 p -145.38 127.47 15.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.69 -36.5 84.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.754 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 59.1 mt -43.5 -27.02 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.541 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -70.43 -57.14 5.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 110.654 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' A' ' 6' ' ' LEU . 10.3 mp -64.27 -42.71 96.31 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.693 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.07 -45.78 91.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.55 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -119.86 -73.44 0.65 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.448 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.38 -108.45 3.21 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -139.89 133.36 30.13 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.93 0.395 . . . . 0.0 110.428 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -157.35 100.04 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.483 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -80.18 -15.43 57.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.345 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.5 ' N ' ' OE1' ' A' ' 12' ' ' GLN . 38.2 tptt -74.2 133.45 42.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.572 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.0 m 42.6 75.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.656 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.32 -54.72 2.71 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.543 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.4 p -83.47 53.2 2.43 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.41 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.4 p -60.52 -27.76 40.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.567 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 72.81 51.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.456 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -161.97 176.54 10.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.308 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -117.79 148.1 42.38 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.995 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -134.85 151.37 50.86 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.104 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.7 tp -141.81 116.63 9.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.464 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -116.16 102.82 9.94 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.684 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.409 HD12 HG21 ' A' ' 24' ' ' ILE . 90.3 mt -98.44 113.1 32.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.346 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.5 mt -103.8 119.99 53.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.774 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 81.6 mt -108.3 127.43 64.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.027 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.66 123.19 41.31 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.025 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -121.68 125.27 46.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.893 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -123.13 112.4 17.68 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -103.04 128.99 49.67 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.171 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . -72.83 130.69 41.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.39 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.549 ' CD ' ' H ' ' A' ' 32' ' ' GLN . 1.2 pm0 -37.19 -36.33 0.13 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.508 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.8 -43.07 76.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.269 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -82.24 149.57 27.88 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.47 ' O ' ' OE2' ' B' ' 83' ' ' GLU . 7.3 pt20 -150.23 138.59 20.47 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.06 150.9 17.08 Favored Pre-proline 0 C--N 1.327 -0.392 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.65 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 53.7 Cg_exo -38.49 -72.2 0.05 OUTLIER 'Trans proline' 0 C--N 1.314 -1.265 0 C-N-CA 122.577 2.185 . . . . 0.0 112.855 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 1.2 p30 165.47 164.84 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -137.24 8.48 2.93 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.544 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.622 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 13.3 mt -72.71 -39.38 5.66 Favored Pre-proline 0 C--O 1.235 0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.28 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 57.5 Cg_endo -82.77 -19.41 6.06 Favored 'Trans proline' 0 N--CA 1.488 1.172 0 C-N-CA 122.333 2.022 . . . . 0.0 111.895 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.9 m -75.64 -51.26 13.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.065 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.58 -44.3 74.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.423 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.687 ' CG ' HH11 ' A' ' 44' ' ' ARG . 0.0 OUTLIER -57.15 -41.84 79.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.947 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.39 -51.59 68.14 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.045 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.98 -29.89 71.01 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.895 0.379 . . . . 0.0 111.009 -179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.58 -36.91 76.71 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.9 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.436 ' HG3' ' NH1' ' A' ' 44' ' ' ARG . 17.7 mmt -76.64 -29.68 56.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.463 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -81.17 -42.55 20.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.361 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 54' ' ' TYR . 14.5 p -64.72 -46.7 91.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.555 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.484 ' O ' ' O ' ' A' ' 55' ' ' VAL . 3.7 mp -60.55 -56.02 26.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.041 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -50.99 -28.21 9.41 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.706 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -95.47 -73.12 0.6 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.909 0.385 . . . . 0.0 111.731 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 50' ' ' VAL . 32.7 m-85 -57.1 -27.1 61.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' A' ' 51' ' ' LEU . 20.6 t -120.15 159.69 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.021 0.439 . . . . 0.0 110.429 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -99.41 76.35 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.345 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 m -138.8 132.84 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.17 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.503 ' C ' ' H ' ' A' ' 60' ' ' ASP . 1.3 t -91.84 142.8 27.17 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.42 ' N ' ' CD1' ' A' ' 59' ' ' LEU . 10.9 mp -46.74 -14.8 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.352 0.408 . . . . 0.0 110.323 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 61' ' ' ASN . 55.3 p-10 -74.35 -27.42 60.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.585 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.54 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 94.2 m-20 -94.46 16.63 14.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.48 ' CD1' ' N ' ' A' ' 62' ' ' ILE . 1.5 mp -95.25 160.84 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.466 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 73.5 ttt180 -138.81 97.29 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.002 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.9 mm -83.81 126.07 40.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.501 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -142.92 94.59 2.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.84 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -91.81 145.09 24.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.428 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -149.92 102.76 3.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.088 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -107.21 156.4 18.88 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -165.39 118.8 1.2 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.459 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 48.79 -132.78 1.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.495 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.8 -4.56 88.72 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.501 ' SD ' ' N ' ' A' ' 73' ' ' ASP . 2.5 tpt -101.72 126.05 48.5 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.992 0.425 . . . . 0.0 110.114 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.501 ' N ' ' SD ' ' A' ' 72' ' ' MET . 96.7 m-20 -128.93 143.75 50.98 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.349 179.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -147.14 127.21 4.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.8 tt -108.45 115.62 30.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.102 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -93.41 120.28 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.213 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 tp -125.09 124.16 41.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.466 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -123.74 128.37 49.49 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.389 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.5 mp -128.85 147.39 33.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.947 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.1 m -115.55 110.8 19.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.8 mp -77.97 145.57 70.08 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.427 ' HG2' ' H ' ' A' ' 83' ' ' GLU . 56.7 Cg_endo -69.3 -77.9 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.673 2.248 . . . . 0.0 112.475 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.465 ' OE2' ' O ' ' B' ' 35' ' ' GLN . 36.6 tp10 62.8 129.45 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.519 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 56.64 103.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.426 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -61.2 135.25 57.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.469 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.27 -45.6 90.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.723 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.3 p -79.22 137.39 21.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 48.5 tp 54.09 97.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.443 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.387 179.597 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.4 ttp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 32.3 p -146.28 127.16 14.47 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.62 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.54 -36.43 84.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.653 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 60.1 mt -43.46 -27.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.527 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -70.38 -56.69 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.614 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' B' ' 6' ' ' LEU . 10.4 mp -64.81 -42.7 94.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.682 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 93.6 mt -59.95 -45.97 90.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.533 -178.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -119.83 -73.67 0.64 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.454 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.43 -109.35 3.31 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -138.78 133.64 32.39 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.836 0.35 . . . . 0.0 110.498 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -157.83 100.26 1.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.396 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.496 ' OE1' ' N ' ' B' ' 13' ' ' LYS . 0.0 OUTLIER -80.74 -13.93 58.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.339 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.496 ' N ' ' OE1' ' B' ' 12' ' ' GLN . 37.8 tptt -75.89 133.28 40.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.531 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 42.5 m 43.01 74.57 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.571 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.55 -55.3 2.63 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.439 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 23.9 p -82.97 53.54 2.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.517 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 11.5 p -60.63 -27.87 41.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.584 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 72.92 50.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.5 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -161.34 177.07 10.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.325 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -118.35 148.32 42.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.931 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -135.0 152.08 51.4 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.084 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 16.4 tp -142.77 116.18 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.462 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -115.64 103.21 10.47 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.677 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.418 HG21 HD12 ' B' ' 24' ' ' ILE . 89.8 mt -98.67 113.04 32.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.372 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 71.2 mt -103.85 119.35 52.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.788 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 80.6 mt -107.81 127.15 64.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.097 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.32 124.09 43.75 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.934 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -122.6 124.88 44.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.887 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -122.59 112.9 18.55 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.844 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -103.41 128.49 50.52 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.263 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.535 ' O ' ' N ' ' B' ' 34' ' ' GLY . . . -72.57 130.47 40.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.41 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.539 ' CD ' ' H ' ' B' ' 32' ' ' GLN . 1.2 pm0 -36.91 -36.63 0.12 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.842 0.354 . . . . 0.0 110.632 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.49 -43.28 77.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.252 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' B' ' 31' ' ' ALA . . . -82.27 149.37 27.61 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.465 ' O ' ' OE2' ' A' ' 83' ' ' GLU . 7.8 pt20 -150.26 138.68 20.52 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.59 150.35 15.79 Favored Pre-proline 0 C--N 1.326 -0.44 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.617 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -37.72 -72.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.316 -1.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.81 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 p30 165.91 164.37 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -136.85 8.67 3.03 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.547 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.608 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 13.2 mt -72.85 -39.41 5.46 Favored Pre-proline 0 C--O 1.236 0.385 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.386 178.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 59.0 Cg_endo -82.52 -19.05 6.58 Favored 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.309 2.006 . . . . 0.0 111.97 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -75.83 -51.56 12.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.103 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 70.5 mt -68.78 -45.29 71.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.604 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.565 HH11 ' HG2' ' B' ' 44' ' ' ARG . 39.7 ttt-85 -56.33 -42.12 77.16 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.39 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -60.68 -51.76 68.0 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.111 -0.636 . . . . 0.0 111.096 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.85 -29.44 70.63 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.076 0.465 . . . . 0.0 110.769 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 61.5 mt -70.08 -36.54 75.0 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.122 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 18.7 mmt -76.95 -29.7 55.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.276 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -81.54 -42.44 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.637 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.467 ' O ' ' N ' ' B' ' 54' ' ' TYR . 13.5 p -64.97 -46.56 91.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.569 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.495 ' O ' ' O ' ' B' ' 55' ' ' VAL . 3.9 mp -60.59 -56.01 26.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.062 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -50.76 -28.0 8.33 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.709 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -95.56 -73.37 0.59 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 111.681 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' B' ' 50' ' ' VAL . 32.9 m-85 -56.66 -27.18 58.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.017 -178.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.495 ' O ' ' O ' ' B' ' 51' ' ' LEU . 20.5 t -120.16 159.41 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.116 0.484 . . . . 0.0 110.407 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -99.26 75.41 2.0 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.456 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 6.1 m -137.7 132.29 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.261 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.49 ' C ' ' H ' ' B' ' 60' ' ' ASP . 1.3 t -91.58 143.15 26.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.727 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' B' ' 59' ' ' LEU . 10.9 mp -47.0 -14.64 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.412 0.445 . . . . 0.0 110.344 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' B' ' 61' ' ' ASN . 55.6 p-10 -74.46 -26.96 60.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.496 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' B' ' 60' ' ' ASP . 92.9 m-20 -94.99 16.68 15.58 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.493 ' CD1' ' N ' ' B' ' 62' ' ' ILE . 1.5 mp -95.38 161.03 2.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.464 ' N ' ' CG2' ' B' ' 62' ' ' ILE . 73.4 ttt180 -139.05 97.41 3.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.076 178.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . 0.465 HG13 HH21 ' B' ' 44' ' ' ARG . 25.1 mm -83.64 126.22 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.463 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -143.11 94.46 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.782 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -91.74 145.11 24.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.404 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -150.18 102.44 3.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.003 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -106.55 157.12 17.91 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.026 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -165.93 119.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.443 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 48.31 -131.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.452 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.73 -3.85 85.66 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.518 ' SD ' ' N ' ' B' ' 73' ' ' ASP . 2.1 tpt -102.25 125.77 49.05 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.99 0.424 . . . . 0.0 110.052 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . 0.518 ' N ' ' SD ' ' B' ' 72' ' ' MET . 96.7 m-20 -128.38 143.8 51.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.324 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -146.98 127.22 5.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 6.4 tt -108.14 115.81 30.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.009 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -93.6 119.77 33.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.218 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.4 tp -125.06 124.48 42.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.442 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -124.08 128.31 49.12 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.402 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.6 mp -128.85 147.29 33.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.894 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 29.1 m -115.16 111.49 21.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.56 145.7 67.97 Favored Pre-proline 0 C--O 1.236 0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.452 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . 0.42 ' HG2' ' H ' ' B' ' 83' ' ' GLU . 56.4 Cg_endo -69.31 -78.17 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.713 2.275 . . . . 0.0 112.437 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.47 ' OE2' ' O ' ' A' ' 35' ' ' GLN . 36.8 tp10 63.04 129.19 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.487 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 56.73 103.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.406 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -61.46 135.45 57.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.334 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.46 -45.25 91.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.758 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 11.5 p -79.59 136.4 23.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 48.2 tp 55.17 96.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.414 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.413 179.555 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.492 ' SD ' ' O ' ' A' ' 1' ' ' MET . 2.1 tmt? . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m -69.33 138.42 53.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.408 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.5 mt -65.53 -31.1 71.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.521 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 68.0 mt -44.5 -30.69 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.556 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 9' ' ' GLY . 80.8 mm-40 -71.78 -51.64 21.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.659 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.73 -44.13 94.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.547 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.15 -43.87 95.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.28 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.445 ' CD2' ' CE ' ' B' ' 72' ' ' MET . 86.8 m-85 -113.87 -70.78 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 110.659 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 5' ' ' GLU . . . 71.03 -157.38 53.53 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -98.83 136.85 38.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.861 0.362 . . . . 0.0 110.605 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -173.52 -167.91 0.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.634 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -65.14 141.18 58.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.428 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -121.91 138.26 54.47 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.58 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.561 ' C ' ' H ' ' A' ' 16' ' ' THR . 6.4 p -78.23 175.77 9.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.503 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.51 37.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.561 ' H ' ' C ' ' A' ' 14' ' ' THR . 35.9 m 44.08 84.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.591 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.1 m -62.95 -157.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.394 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.97 -3.41 3.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.453 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.401 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 12.4 mpt_? -87.71 -177.17 5.77 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.007 0.432 . . . . 0.0 110.413 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 19' ' ' ARG . 89.5 m-20 -134.94 155.97 49.8 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.353 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -130.71 160.71 33.51 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.093 0.473 . . . . 0.0 110.381 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.16 102.34 5.16 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.693 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -96.39 100.65 12.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.724 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.403 HD11 HG22 ' A' ' 24' ' ' ILE . 89.5 mt -102.38 108.13 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.59 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.4 mm -102.64 120.13 51.97 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.023 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.406 HD12 HG23 ' A' ' 26' ' ' ILE . 89.2 mt -108.72 133.98 52.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.322 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.19 127.3 35.55 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.518 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.628 ' NE2' ' NH2' ' A' ' 30' ' ' ARG . 49.2 tt0 -127.83 138.05 52.58 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.342 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -134.95 129.32 34.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.367 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.628 ' NH2' ' NE2' ' A' ' 28' ' ' GLN . 88.1 mtt-85 -122.22 138.33 54.52 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.966 0.412 . . . . 0.0 110.264 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.511 ' O ' ' C ' ' A' ' 32' ' ' GLN . . . -67.46 112.42 4.64 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.547 ' O ' ' C ' ' A' ' 33' ' ' GLU . 21.1 mt-30 -24.81 -74.89 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 123.663 0.602 . . . . 0.0 110.711 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.547 ' C ' ' O ' ' A' ' 32' ' ' GLN . 80.1 mm-40 -19.76 88.71 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.557 0.535 . . . . 0.0 111.658 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' GLN . . . 73.03 112.36 0.06 OUTLIER Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.888 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.438 ' C ' ' OG1' ' A' ' 36' ' ' THR . 42.2 tt0 -125.26 140.3 52.96 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.634 ' N ' ' CD ' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -173.83 -40.97 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.59 0 CA-C-O 120.924 0.393 . . . . 0.0 110.215 -178.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 36' ' ' THR . 35.1 Cg_exo -57.33 155.23 30.92 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.811 2.341 . . . . 0.0 111.455 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 39' ' ' TYR . 66.5 t0 -173.75 137.82 0.62 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.468 ' N ' ' OD1' ' A' ' 38' ' ' ASP . 98.6 m-85 -143.17 26.15 1.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.659 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.486 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.3 mp -64.57 -58.61 12.93 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.488 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 40.3 Cg_endo -67.46 -14.9 44.0 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.765 2.31 . . . . 0.0 111.883 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.4 m -76.37 -58.33 3.35 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.252 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.26 -45.03 93.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.658 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -53.09 -60.09 3.72 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -44.54 -48.44 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.676 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.86 -35.59 76.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.069 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.5 mt -66.42 -41.82 88.66 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.413 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.436 ' N ' ' SD ' ' A' ' 48' ' ' MET . 19.6 mmm -73.54 -22.31 60.13 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -80.62 -45.94 16.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.761 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 54' ' ' TYR . 33.4 m -67.45 -40.92 85.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.011 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' A' ' 55' ' ' VAL . 3.0 mp -60.36 -62.15 2.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.705 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -53.04 -24.02 8.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.557 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -94.6 -74.55 0.54 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.469 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' A' ' 50' ' ' VAL . 54.8 m-85 -62.27 -25.1 67.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.287 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.497 ' O ' ' O ' ' A' ' 51' ' ' LEU . 11.9 t -118.8 160.61 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.092 0.472 . . . . 0.0 110.839 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -107.73 90.6 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.274 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 m -144.56 134.73 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.5 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 60' ' ' ASP . 70.7 m -82.79 156.08 23.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 4.4 mm? -62.97 -4.74 2.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.785 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.424 ' H ' ' C ' ' A' ' 58' ' ' SER . 97.5 m-20 -88.15 -23.03 23.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.568 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -91.29 4.98 50.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.92 0.391 . . . . 0.0 110.476 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 63' ' ' ARG . 1.6 mp -96.64 154.4 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.97 0.415 . . . . 0.0 109.957 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.429 ' N ' HG22 ' A' ' 62' ' ' ILE . 33.2 mtp180 -137.2 110.02 7.61 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 177.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.0 mm -93.8 127.95 45.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.436 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.027 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.33 96.77 2.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.106 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -98.31 153.17 18.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -155.82 102.14 2.17 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 121.267 0.556 . . . . 0.0 110.503 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -84.51 138.97 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.47 ' O ' ' O ' ' A' ' 72' ' ' MET . 42.5 tt0 -135.42 121.47 20.03 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-O 121.028 0.442 . . . . 0.0 110.314 178.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -41.05 105.34 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.5 -37.31 3.09 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.47 ' O ' ' O ' ' A' ' 69' ' ' GLN . 0.7 OUTLIER -147.06 174.02 11.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 0.0 110.524 -179.408 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -145.64 146.91 31.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.367 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.59 164.15 34.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.228 0.537 . . . . 0.0 110.256 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 tp -151.45 108.58 3.56 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.844 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -87.65 117.17 26.28 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.151 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.0 tp -126.0 126.35 44.16 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.53 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -128.64 134.66 48.6 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.854 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.7 mp -132.07 151.45 35.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 CA-C-O 120.87 0.367 . . . . 0.0 110.134 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.3 m -114.95 112.77 23.2 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.103 0.478 . . . . 0.0 110.143 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mt -85.99 136.04 36.72 Favored Pre-proline 0 C--O 1.246 0.874 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.694 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.23 162.11 39.25 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 122.742 2.295 . . . . 0.0 112.143 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -115.52 26.53 9.98 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.052 0.453 . . . . 0.0 110.273 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -68.24 132.17 46.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.423 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -68.3 130.57 43.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.453 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -146.21 -21.84 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.561 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.9 t -126.34 132.49 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.951 0.405 . . . . 0.0 110.335 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 3.7 mm? -77.77 140.84 39.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.826 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 117.907 -1.045 . . . . 0.0 110.493 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.46 ' SD ' ' O ' ' B' ' 1' ' ' MET . 2.1 tmt? . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 27.0 m -68.17 138.31 55.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 55.4 mt -65.91 -31.03 71.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.685 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 64.2 mt -44.36 -30.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.719 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' B' ' 9' ' ' GLY . 80.7 mm-40 -71.72 -52.38 18.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.63 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 50.0 mt -63.2 -44.16 96.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.498 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.24 -43.68 95.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.258 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . 0.456 ' CD2' ' CE ' ' A' ' 72' ' ' MET . 85.4 m-85 -113.97 -70.67 0.79 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.623 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' B' ' 5' ' ' GLU . . . 71.08 -157.84 53.6 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -98.98 135.99 39.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.882 0.372 . . . . 0.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -172.56 -167.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.687 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.78 140.98 58.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.371 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -121.79 137.97 54.56 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.563 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.572 ' C ' ' H ' ' B' ' 16' ' ' THR . 6.9 p -77.94 175.39 10.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.541 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.18 36.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.574 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.572 ' H ' ' C ' ' B' ' 14' ' ' THR . 39.0 m 44.79 85.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.541 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.7 m -64.36 -155.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.448 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.415 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . -134.0 -4.39 2.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.495 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -86.66 -176.75 5.94 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.971 0.415 . . . . 0.0 110.397 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -135.22 156.14 49.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.352 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -131.13 160.23 35.33 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.118 0.485 . . . . 0.0 110.42 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.02 102.33 5.18 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.573 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -96.45 100.52 12.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.758 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 87.8 mt -102.18 108.09 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.7 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 20.0 mm -102.36 119.7 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.973 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 91.5 mt -108.37 133.29 53.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.427 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.53 129.0 40.48 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.35 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.608 ' NE2' ' NH2' ' B' ' 30' ' ' ARG . 50.1 tt0 -129.98 137.36 50.26 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.326 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -134.42 129.81 35.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.355 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.608 ' NH2' ' NE2' ' B' ' 28' ' ' GLN . 87.1 mtt-85 -122.21 139.5 53.69 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.546 ' O ' ' C ' ' B' ' 32' ' ' GLN . . . -68.53 111.95 5.03 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.246 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.546 ' C ' ' O ' ' B' ' 31' ' ' ALA . 24.0 mt-30 -21.0 -77.21 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.783 0.677 . . . . 0.0 110.914 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.527 ' C ' ' O ' ' B' ' 32' ' ' GLN . 81.0 mm-40 -20.48 86.71 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.862 0.726 . . . . 0.0 111.43 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' B' ' 32' ' ' GLN . . . 73.01 126.58 0.1 OUTLIER Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 -177.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -146.01 62.29 1.24 Allowed 'General case' 0 C--O 1.222 -0.374 0 CA-C-O 120.972 0.415 . . . . 0.0 111.613 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' THR . . . . . 0.69 ' N ' ' CD ' ' B' ' 37' ' ' PRO . 0.2 OUTLIER -92.46 -38.61 0.36 Allowed Pre-proline 0 C--N 1.311 -1.095 0 CA-C-O 120.803 0.335 . . . . 0.0 110.718 179.127 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.69 ' CD ' ' N ' ' B' ' 36' ' ' THR . 49.2 Cg_exo -53.1 158.35 6.97 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.706 2.271 . . . . 0.0 112.231 -177.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' B' ' 39' ' ' TYR . 66.9 t0 -177.18 140.2 0.29 Allowed 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.52 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.525 ' N ' ' OD1' ' B' ' 38' ' ' ASP . 98.2 m-85 -147.86 31.46 0.86 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.586 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.494 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 2.5 mp -69.39 -57.52 6.99 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.624 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 43.0 Cg_endo -68.68 -13.8 37.91 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.803 2.335 . . . . 0.0 111.796 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.8 m -76.15 -57.89 3.6 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.59 -45.91 88.23 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.763 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -51.46 -60.73 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.71 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -44.45 -48.87 10.01 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.841 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.56 75.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.166 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.89 -41.66 86.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.375 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 23.0 mmm -73.22 -22.38 60.44 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -80.78 -45.7 16.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.875 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' B' ' 54' ' ' TYR . 34.0 m -67.46 -41.15 85.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.037 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.508 ' O ' ' O ' ' B' ' 55' ' ' VAL . 2.9 mp -60.39 -61.97 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.788 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.1 t -53.16 -24.14 9.99 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.706 -0.397 . . . . 0.0 110.528 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -94.47 -74.39 0.54 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.482 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.503 ' N ' ' O ' ' B' ' 50' ' ' VAL . 53.1 m-85 -62.29 -25.35 67.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.241 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' B' ' 51' ' ' LEU . 13.2 t -118.84 160.74 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.23 0.538 . . . . 0.0 110.745 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -107.67 90.65 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.401 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 m -144.54 134.62 19.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.46 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.442 ' C ' ' H ' ' B' ' 60' ' ' ASP . 72.3 m -83.12 155.35 23.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.581 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.02 -3.16 1.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . 0.442 ' H ' ' C ' ' B' ' 58' ' ' SER . 98.1 m-20 -89.27 -22.95 22.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.616 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -91.71 4.35 52.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.584 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.467 ' CG2' ' CD1' ' B' ' 64' ' ' ILE . 1.7 mp -94.81 156.28 3.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.111 0.481 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.422 ' N ' ' CG2' ' B' ' 62' ' ' ILE . 34.3 mtp180 -139.36 106.63 5.51 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.254 177.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . 0.467 ' CD1' ' CG2' ' B' ' 62' ' ' ILE . 1.6 mp -93.3 129.16 44.17 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.056 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.83 98.26 3.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.458 177.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -97.38 152.75 18.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.658 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -155.59 102.16 2.21 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.287 0.565 . . . . 0.0 110.428 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -84.72 139.29 32.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.954 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.454 ' O ' ' O ' ' B' ' 72' ' ' MET . 42.8 tt0 -135.89 120.35 18.09 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.295 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -40.17 105.41 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.38 -37.06 3.18 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.454 ' O ' ' O ' ' B' ' 69' ' ' GLN . 0.8 OUTLIER -147.82 172.94 13.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.915 0.388 . . . . 0.0 110.581 -179.472 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.51 146.6 32.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.457 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 m -133.97 164.38 34.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.237 0.541 . . . . 0.0 110.305 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 tp -151.73 108.29 3.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.791 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -87.34 116.89 25.74 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.371 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 14.8 tp -125.22 127.89 47.46 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.451 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -130.19 134.63 47.42 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.642 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 3.8 mp -132.11 151.83 35.67 Favored 'Isoleucine or valine' 0 C--N 1.34 0.185 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 13.8 m -115.7 111.35 20.46 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.206 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 mt -84.91 135.92 39.34 Favored Pre-proline 0 C--O 1.243 0.743 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.669 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.22 162.26 38.99 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 C-N-CA 122.646 2.231 . . . . 0.0 112.152 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' B' ' 18' ' ' ALA . 21.8 tt0 -115.75 27.11 9.52 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.105 0.479 . . . . 0.0 110.256 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -68.75 131.88 45.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.458 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -67.78 130.38 42.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.467 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -145.99 -21.75 0.45 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.491 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 64.7 t -126.42 132.97 69.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 120.962 0.411 . . . . 0.0 110.346 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.55 ' CD2' ' N ' ' B' ' 88' ' ' LEU . 3.7 mm? -78.71 138.82 38.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.832 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.46 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ptm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -68.03 150.39 48.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.458 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.44 ' CD1' ' N ' ' A' ' 3' ' ' LEU . 10.3 mp -62.66 -37.96 88.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.404 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.404 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 37.4 mm -42.66 -29.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.204 0.526 . . . . 0.0 110.527 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -79.97 -48.53 13.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.928 0.394 . . . . 0.0 111.416 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 tt -74.46 -55.78 5.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.282 0.563 . . . . 0.0 111.466 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.453 ' CD1' ' CD2' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -55.53 -32.48 62.98 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.575 -179.09 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.619 ' CE2' ' SD ' ' B' ' 72' ' ' MET . 0.6 OUTLIER -115.68 -83.0 0.62 Allowed 'General case' 0 C--N 1.343 0.284 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 48.85 13.66 0.33 Allowed Glycine 0 CA--C 1.517 0.173 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.473 ' H ' ' C ' ' A' ' 8' ' ' PHE . 17.2 tpp180 -112.38 116.12 29.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.84 0.353 . . . . 0.0 110.538 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -168.02 36.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.687 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -57.77 -41.07 81.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.483 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -167.96 82.45 0.18 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.448 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.9 m -122.71 125.79 46.24 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.347 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.26 162.58 13.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.529 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 p -54.2 105.46 0.15 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.427 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.457 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 14.8 p -66.89 -12.03 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.638 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.457 ' CB ' ' O ' ' A' ' 17' ' ' VAL . . . 79.79 -44.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -167.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.235 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 21' ' ' ARG . 42.1 t0 -139.75 138.2 35.71 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.179 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.496 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 97.2 mtt180 -120.22 156.93 30.17 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.346 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.5 mt -133.32 109.49 9.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.604 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -101.61 94.78 6.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.764 179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.6 mt -99.91 112.92 33.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.023 0.439 . . . . 0.0 111.021 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.2 mt -109.39 125.24 66.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.779 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.5 mt -114.09 135.61 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.693 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.17 93.97 3.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.899 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -96.45 141.17 30.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.556 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -128.48 109.11 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.504 ' NH1' ' O ' ' A' ' 37' ' ' PRO . 48.0 mtm180 -104.82 139.16 39.99 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -178.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -77.3 112.24 13.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.171 179.421 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -38.79 -27.49 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.796 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' ALA . 82.8 tt0 -69.56 147.81 50.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.357 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.75 -102.14 2.78 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -161.62 -65.51 0.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.906 0.384 . . . . 0.0 110.233 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 36' ' ' THR . 4.8 p 50.0 93.15 0.05 OUTLIER Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.718 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.504 ' O ' ' NH1' ' A' ' 30' ' ' ARG . 59.3 Cg_endo -79.91 -179.74 5.55 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.637 2.224 . . . . 0.0 112.005 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -58.48 140.94 53.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.55 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.473 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 55.2 m-85 -128.47 -9.8 5.14 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.64 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 3.3 mp -67.29 -42.81 41.18 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.554 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 26.8 Cg_exo -62.58 -24.46 75.15 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.638 2.225 . . . . 0.0 111.884 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.2 m -77.77 -55.16 5.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.9 mt -65.45 -44.08 88.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -59.4 -45.22 92.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.834 0.35 . . . . 0.0 110.717 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -61.61 -47.94 83.17 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.449 -0.501 . . . . 0.0 111.083 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.35 -36.35 77.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.946 0.403 . . . . 0.0 110.726 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.9 mt -71.5 -41.89 68.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.235 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.1 mmt -65.29 -34.12 77.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.701 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -81.2 -43.17 19.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.028 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 54' ' ' TYR . 48.3 t -64.55 -48.75 83.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.577 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 55' ' ' VAL . 71.4 mt -59.2 -55.7 31.63 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.2 t -51.84 -28.27 15.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.801 0.334 . . . . 0.0 110.691 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -93.33 -68.75 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.266 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 50' ' ' VAL . 31.9 m-85 -61.78 -24.29 66.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 51' ' ' LEU . 15.2 t -123.6 156.77 30.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.932 0.396 . . . . 0.0 110.495 -179.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.34 92.91 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.644 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 m -149.75 136.42 12.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.39 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.505 ' C ' ' H ' ' A' ' 60' ' ' ASP . 43.0 t -87.47 151.04 23.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.511 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 4.2 mm? -58.9 -2.93 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.431 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.505 ' H ' ' C ' ' A' ' 58' ' ' SER . 35.8 t70 -88.65 -26.23 21.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -96.8 13.58 28.1 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.703 0.287 . . . . 0.0 110.432 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 26.5 mm -97.74 116.79 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 CA-C-O 121.188 0.518 . . . . 0.0 111.457 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -96.6 101.77 13.44 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.365 179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 tp -94.24 135.68 27.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.047 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -146.88 95.9 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.202 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -91.28 148.46 22.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.672 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -153.21 143.87 22.68 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.484 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -139.68 147.68 41.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.823 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -158.02 94.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.182 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.546 ' CG ' ' H ' ' A' ' 71' ' ' GLY . 20.7 t0 68.74 -152.68 0.15 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.546 ' H ' ' CG ' ' A' ' 70' ' ' ASP . . . -65.11 4.35 1.8 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.673 ' SD ' ' CD2' ' B' ' 8' ' ' PHE . 51.3 ttm -112.98 133.12 55.09 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.7 0.286 . . . . 0.0 110.626 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -130.78 148.54 52.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.112 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.5 m -135.03 162.87 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.496 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.4 tp -147.16 107.39 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.457 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -94.65 122.45 37.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.135 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 54.7 tp -131.54 126.5 35.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.819 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -123.74 118.78 27.99 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.46 138.32 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.011 0.434 . . . . 0.0 110.165 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.9 m -107.12 107.08 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.758 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.6 mp -81.01 141.39 50.58 Favored Pre-proline 0 C--O 1.242 0.672 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.429 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.54 -173.85 0.92 Allowed 'Trans proline' 0 N--CA 1.49 1.269 0 C-N-CA 122.792 2.328 . . . . 0.0 112.125 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -87.87 -12.14 45.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.131 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.443 ' N ' ' OE1' ' A' ' 83' ' ' GLU . 93.6 mt-30 55.9 -84.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.482 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 83' ' ' GLU . 69.0 mmtt -47.24 104.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.664 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -171.97 -28.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.708 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.2 t -136.38 -18.13 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.582 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.406 HD12 ' N ' ' A' ' 88' ' ' LEU . 10.7 mp -63.21 -41.28 99.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.446 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.449 179.868 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' B' ' 1' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.1 p -64.8 149.47 49.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.516 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.451 ' CD1' ' N ' ' B' ' 3' ' ' LEU . 10.0 mp -62.59 -38.06 88.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.312 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.401 ' O ' ' HB2' ' B' ' 8' ' ' PHE . 35.7 mm -42.4 -29.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.177 0.513 . . . . 0.0 110.602 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -79.87 -48.77 12.94 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.439 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 tt -74.01 -56.52 4.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.245 0.545 . . . . 0.0 111.503 -178.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . 0.457 ' CD1' ' CD2' ' B' ' 8' ' ' PHE . 0.5 OUTLIER -54.8 -31.87 59.59 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.6 -179.077 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . 0.673 ' CD2' ' SD ' ' A' ' 72' ' ' MET . 0.6 OUTLIER -116.1 -82.71 0.62 Allowed 'General case' 0 C--N 1.342 0.26 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 48.24 16.93 0.57 Allowed Glycine 0 CA--C 1.518 0.241 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' B' ' 8' ' ' PHE . 17.3 tpp180 -115.57 116.23 27.79 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.919 0.39 . . . . 0.0 110.517 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -168.39 36.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.719 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -58.78 -41.25 86.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.61 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -167.23 82.19 0.22 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.444 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 99.8 m -123.04 126.41 47.05 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.3 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.34 163.03 13.16 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.421 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 25.2 p -54.34 105.59 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.442 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' B' ' 18' ' ' ALA . 14.9 p -66.82 -12.75 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.677 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' B' ' 17' ' ' VAL . . . 80.37 -44.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.466 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.23 -167.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.165 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' B' ' 21' ' ' ARG . 41.9 t0 -139.16 137.53 36.15 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.291 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.509 ' N ' ' OD1' ' B' ' 20' ' ' ASP . 96.8 mtt180 -119.37 157.57 27.9 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.244 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.1 mt -133.85 110.08 9.52 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -101.93 94.97 6.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.705 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 71.9 mt -100.21 112.35 32.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.006 0.432 . . . . 0.0 111.067 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.415 HD12 HG22 ' B' ' 25' ' ' ILE . 88.6 mt -109.26 125.03 66.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.797 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.424 HD13 HG21 ' B' ' 26' ' ' ILE . 95.2 mt -113.88 136.23 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.712 -179.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.81 93.78 3.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.905 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -96.45 140.98 30.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.511 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -128.01 109.61 11.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.769 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.529 ' NH1' ' O ' ' B' ' 37' ' ' PRO . 46.4 mtm180 -105.5 139.92 39.38 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.722 -178.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' B' ' 33' ' ' GLU . . . -78.21 112.15 14.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.268 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' B' ' 31' ' ' ALA . 15.7 pt20 -38.32 -26.94 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.716 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' B' ' 31' ' ' ALA . 80.1 tt0 -69.72 149.23 48.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.437 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.02 -102.42 2.68 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -160.97 -66.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.898 0.38 . . . . 0.0 110.104 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' B' ' 36' ' ' THR . 3.2 p 51.22 92.63 0.06 OUTLIER Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.843 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.529 ' O ' ' NH1' ' B' ' 30' ' ' ARG . 60.2 Cg_endo -79.37 -179.48 5.43 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.61 2.207 . . . . 0.0 111.959 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -59.57 140.14 56.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.465 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.452 ' CD2' ' O ' ' B' ' 37' ' ' PRO . 56.2 m-85 -127.21 -9.62 5.86 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.582 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 3.6 mp -66.95 -43.5 47.73 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.457 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 27.1 Cg_exo -62.22 -24.56 76.24 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.53 2.154 . . . . 0.0 112.116 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 86.9 m -77.49 -53.91 7.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.07 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.0 mt -66.91 -44.06 81.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -59.54 -44.24 93.29 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.85 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -62.2 -47.93 82.27 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.042 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.74 -36.09 78.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.932 0.396 . . . . 0.0 110.806 -179.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.84 -42.16 67.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.24 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 18.4 mmt -65.33 -33.73 76.66 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.194 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -81.49 -43.61 18.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' B' ' 54' ' ' TYR . 49.7 t -64.37 -48.69 84.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.525 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' B' ' 55' ' ' VAL . 73.5 mt -59.09 -55.5 34.27 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.54 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 9.2 t -52.03 -28.23 16.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.675 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -93.43 -69.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.225 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' B' ' 50' ' ' VAL . 32.0 m-85 -61.7 -24.23 66.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.468 ' O ' ' O ' ' B' ' 51' ' ' LEU . 14.5 t -123.39 156.65 29.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.913 0.387 . . . . 0.0 110.532 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.3 93.26 5.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.595 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 4.2 m -149.83 135.79 11.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.32 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.575 ' C ' ' H ' ' B' ' 60' ' ' ASP . 41.6 t -87.42 147.84 25.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.433 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' B' ' 59' ' ' LEU . 4.2 mm? -55.76 -2.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.703 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . 0.575 ' H ' ' C ' ' B' ' 58' ' ' SER . 38.7 t70 -88.34 -23.69 23.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.531 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -99.47 11.93 37.79 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.629 0.252 . . . . 0.0 110.593 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.417 HD11 ' N ' ' B' ' 62' ' ' ILE . 1.0 OUTLIER -95.54 114.4 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 120.996 0.427 . . . . 0.0 110.459 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -94.67 101.37 13.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.271 179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 2.4 tp -93.54 134.99 29.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.843 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.5 m -146.23 95.77 2.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.109 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -91.18 148.69 22.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.714 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -153.29 143.87 22.59 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.509 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -139.63 147.19 40.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.685 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -157.57 95.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.261 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.519 ' CG ' ' H ' ' B' ' 71' ' ' GLY . 20.5 t0 67.83 -151.96 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.543 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . 0.519 ' H ' ' CG ' ' B' ' 70' ' ' ASP . . . -65.6 4.42 2.16 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.619 ' SD ' ' CE2' ' A' ' 8' ' ' PHE . 9.0 tpp -112.9 133.96 54.63 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-O 120.762 0.315 . . . . 0.0 110.708 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -131.46 146.74 52.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.153 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 m -133.86 161.82 40.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.579 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 43.3 tp -146.61 108.02 4.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.602 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -95.18 123.94 38.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.084 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 53.0 tp -133.0 125.61 30.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.799 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -122.56 119.08 29.8 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.867 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.52 138.39 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.023 0.44 . . . . 0.0 110.308 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 91.0 m -107.67 106.87 17.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.782 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 mp -80.92 141.88 51.5 Favored Pre-proline 0 C--O 1.241 0.619 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.322 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.07 -174.24 1.11 Allowed 'Trans proline' 0 C--N 1.317 -1.122 0 C-N-CA 122.895 2.396 . . . . 0.0 112.179 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' B' ' 85' ' ' LYS . 0.2 OUTLIER -87.44 -11.15 49.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.164 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . 0.417 ' N ' ' OE1' ' B' ' 83' ' ' GLU . 90.6 mt-30 55.08 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.582 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' B' ' 83' ' ' GLU . 68.3 mmtt -48.72 106.49 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.567 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -173.33 -29.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.596 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 26.4 t -135.26 -17.93 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.509 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.47 -41.21 98.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.517 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.479 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 mtm . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 t -69.82 144.9 52.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.622 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' A' ' 3' ' ' LEU . 10.3 mp -71.08 -28.32 64.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.694 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.0 mt -43.29 -28.71 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -72.15 -56.57 5.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.593 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 6' ' ' LEU . 9.5 mp -63.39 -44.06 95.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.686 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.4 mt -59.94 -45.62 92.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.566 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.587 ' CE1' ' SD ' ' B' ' 72' ' ' MET . 47.7 m-85 -120.27 -78.97 0.6 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.48 -57.6 2.47 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -73.62 141.39 46.56 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.927 0.394 . . . . 0.0 110.148 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.669 ' O ' ' N ' ' A' ' 13' ' ' LYS . 15.7 ptmt -163.71 14.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.55 ' O ' ' C ' ' A' ' 13' ' ' LYS . 88.5 mt-30 -39.22 82.21 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.565 0 O-C-N 123.775 0.672 . . . . 0.0 110.455 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.669 ' N ' ' O ' ' A' ' 11' ' ' LYS . 83.8 tttt 8.33 86.69 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.338 1.024 . . . . 0.0 111.357 -178.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.8 t -76.89 -0.05 22.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.255 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.447 ' O ' ' O ' ' A' ' 16' ' ' THR . . . 71.49 34.6 1.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.62 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.447 ' O ' ' O ' ' A' ' 15' ' ' ALA . 8.4 p 58.4 123.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.692 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.461 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 14.8 p -69.44 -26.91 32.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.578 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' CB ' ' O ' ' A' ' 17' ' ' VAL . . . 80.1 31.31 0.22 Allowed 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.726 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 mmt-85 -158.19 172.59 18.11 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.253 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.32 137.53 52.37 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.738 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -134.6 158.2 44.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.541 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.99 110.07 5.62 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.611 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -102.99 102.12 12.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.184 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.8 mt -102.6 112.68 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 120.912 0.387 . . . . 0.0 110.656 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.04 125.24 56.24 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.5 mt -112.0 131.28 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.498 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -127.35 108.62 11.0 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.732 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.586 HE22 ' H ' ' A' ' 39' ' ' TYR . 31.4 tt0 -103.66 115.95 31.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.684 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -115.0 116.73 28.93 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.658 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -120.57 136.99 54.64 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.049 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -71.59 115.2 10.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.474 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -41.27 -19.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' ALA . 51.3 tp10 -38.9 -79.6 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.7 -167.46 0.35 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.633 ' O ' ' OG1' ' A' ' 36' ' ' THR . 50.2 mt-30 -81.55 20.8 0.86 Allowed 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.707 -0.247 . . . . 0.0 110.903 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.633 ' OG1' ' O ' ' A' ' 35' ' ' GLN . 17.8 p 60.68 79.47 0.28 Allowed Pre-proline 0 C--N 1.316 -0.881 0 O-C-N 123.518 0.511 . . . . 0.0 111.88 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -80.85 113.41 2.77 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 122.68 2.253 . . . . 0.0 110.877 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -107.77 153.11 23.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.048 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.586 ' H ' HE22 ' A' ' 28' ' ' GLN . 72.6 m-85 -142.05 30.32 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.291 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.468 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 2.6 mt -56.55 -61.04 7.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.327 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 20.0 Cg_endo -60.13 -14.6 29.53 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.544 2.163 . . . . 0.0 111.711 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.1 m -73.83 -55.06 6.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.87 -49.98 58.99 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.783 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.518 ' O ' ' SD ' ' A' ' 48' ' ' MET . 70.7 ttp85 -48.96 -56.31 9.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.802 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -50.1 -49.98 49.85 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.718 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.42 -36.16 71.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 0.0 110.434 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.52 -41.54 75.88 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.445 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -62.86 -31.37 72.39 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.574 -179.068 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -85.77 -41.4 15.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.198 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 54' ' ' TYR . 55.5 t -65.67 -47.94 84.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.497 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 55' ' ' VAL . 81.9 mt -60.81 -56.47 20.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.054 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.0 t -53.08 -23.54 8.08 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.878 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -96.94 -71.42 0.68 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.522 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 50' ' ' VAL . 46.0 m-85 -61.19 -27.35 68.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.354 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' A' ' 51' ' ' LEU . 19.7 t -116.96 158.79 17.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.009 0.433 . . . . 0.0 110.435 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -99.27 72.62 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.597 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.0 m -138.17 133.86 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.412 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.0 p -89.55 166.84 13.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.442 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.77 -15.67 63.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.534 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -82.44 -25.69 33.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -97.88 8.1 45.27 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 120.799 0.333 . . . . 0.0 110.514 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.407 HG23 HD11 ' A' ' 62' ' ' ILE . 12.3 mt -102.52 122.36 54.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.075 0.464 . . . . 0.0 110.518 179.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -93.32 134.58 35.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.782 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.419 HG22 HD12 ' A' ' 64' ' ' ILE . 96.4 mt -131.34 137.46 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.638 179.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.423 ' OG ' ' OE2' ' A' ' 67' ' ' GLU . 9.3 t -152.37 128.13 10.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.335 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -115.78 150.85 36.25 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.575 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 55.7 mp0 -144.02 101.35 3.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.374 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -82.0 133.09 35.27 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.215 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.449 ' O ' ' O ' ' A' ' 72' ' ' MET . 39.6 tp60 -165.51 117.76 1.13 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.853 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.575 ' C ' ' H ' ' A' ' 72' ' ' MET . 96.4 m-20 54.38 -170.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.194 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.93 25.08 0.41 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.593 ' SD ' ' CE1' ' B' ' 8' ' ' PHE . 42.7 ttp -138.61 117.28 12.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.888 0.375 . . . . 0.0 110.058 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -102.33 150.99 22.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.355 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.433 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 60.0 t -133.69 120.05 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.335 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tp -109.13 108.27 18.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.072 0.463 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -85.86 109.74 18.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.866 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 tp -116.26 128.19 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.656 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.667 HD21 ' N ' ' A' ' 79' ' ' ILE . 0.9 OUTLIER -133.4 126.26 30.86 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.415 179.555 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.667 ' N ' HD21 ' A' ' 78' ' ' ASN . 3.8 mp -120.2 143.4 32.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -111.7 107.28 16.32 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.9 mp -78.43 133.83 63.1 Favored Pre-proline 0 C--O 1.242 0.704 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.509 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -74.25 -164.6 0.22 Allowed 'Trans proline' 0 N--CA 1.487 1.102 0 C-N-CA 122.769 2.313 . . . . 0.0 112.057 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -135.97 141.4 44.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.496 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -77.69 122.17 24.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.336 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -90.01 -77.9 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.76 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -91.17 139.67 30.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.463 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.5 t -106.52 -40.54 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.474 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.505 ' CD1' ' N ' ' A' ' 88' ' ' LEU . 8.6 mp -71.9 146.74 47.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.483 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.474 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.7 mtp . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t -69.84 146.08 51.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.611 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' B' ' 3' ' ' LEU . 10.3 mp -72.19 -27.88 62.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.61 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 60.7 mt -43.66 -28.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.708 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -72.05 -56.36 5.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.727 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.47 ' CD1' ' N ' ' B' ' 6' ' ' LEU . 9.7 mp -63.29 -44.06 96.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.686 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 86.0 mt -60.28 -45.85 91.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.669 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . 0.593 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 48.4 m-85 -120.57 -81.57 0.64 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.781 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.03 -54.81 3.09 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -76.57 138.99 40.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.94 0.4 . . . . 0.0 110.408 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.706 ' O ' ' N ' ' B' ' 13' ' ' LYS . 5.3 ptpt -161.96 19.22 0.1 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.778 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.535 ' O ' ' C ' ' B' ' 13' ' ' LYS . 88.4 mt-30 -42.01 78.25 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.456 0 O-C-N 123.95 0.781 . . . . 0.0 110.425 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.706 ' N ' ' O ' ' B' ' 11' ' ' LYS . 82.9 tttt 12.7 85.96 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 O-C-N 124.243 0.965 . . . . 0.0 111.245 -178.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 3.5 t -76.91 2.45 14.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.297 -178.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.455 ' O ' ' O ' ' B' ' 16' ' ' THR . . . 69.25 35.07 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.602 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.455 ' O ' ' O ' ' B' ' 15' ' ' ALA . 10.3 p 57.98 123.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.644 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.429 ' O ' ' CB ' ' B' ' 18' ' ' ALA . 14.4 p -69.68 -26.5 30.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.802 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.429 ' CB ' ' O ' ' B' ' 17' ' ' VAL . . . 77.66 36.29 0.27 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.348 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.404 ' NH1' ' CD ' ' B' ' 83' ' ' GLU . 2.0 tpt180 -164.18 167.04 20.55 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.071 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.36 139.4 47.95 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 116.341 -0.391 . . . . 0.0 109.965 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -136.06 157.59 46.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.559 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.31 111.59 6.53 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.735 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -104.45 101.37 11.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.109 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 83.2 mt -101.85 112.87 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.976 0.417 . . . . 0.0 110.826 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.04 124.75 56.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.772 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 94.8 mt -111.79 131.39 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.485 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -127.25 108.7 11.1 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.782 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.604 HE22 ' H ' ' B' ' 39' ' ' TYR . 31.3 tt0 -103.6 117.09 33.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.554 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -116.42 115.3 25.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 32.1 ptt-85 -118.07 136.08 53.79 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' B' ' 33' ' ' GLU . . . -71.12 114.71 9.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.496 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' B' ' 33' ' ' GLU . 15.3 pt20 -41.97 -20.14 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' B' ' 31' ' ' ALA . 53.7 tp10 -33.92 -88.39 0.0 OUTLIER 'General case' 0 C--N 1.339 0.127 0 O-C-N 123.325 0.391 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' B' ' 33' ' ' GLU . . . -54.4 -163.28 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.625 ' O ' ' OG1' ' B' ' 36' ' ' THR . 72.3 mt-30 -66.33 -60.79 2.44 Favored 'General case' 0 CA--C 1.497 -1.09 0 CA-C-O 118.096 -0.954 . . . . 0.0 109.411 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' THR . . . . . 0.625 ' OG1' ' O ' ' B' ' 35' ' ' GLN . 1.0 OUTLIER 144.4 77.88 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.464 0 O-C-N 125.311 1.632 . . . . 0.0 110.323 -179.505 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -77.14 106.49 2.25 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.264 1.976 . . . . 0.0 112.085 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -106.27 147.71 28.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.546 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.604 ' H ' HE22 ' B' ' 28' ' ' GLN . 68.3 m-85 -137.63 31.8 2.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.274 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.476 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 2.5 mt -57.88 -61.12 7.99 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.476 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 21.6 Cg_endo -60.08 -15.2 32.39 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.639 2.226 . . . . 0.0 111.835 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 8.4 m -73.48 -54.85 7.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 mt -68.39 -49.96 56.35 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.694 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.521 ' O ' ' SD ' ' B' ' 48' ' ' MET . 70.6 ttp85 -48.71 -56.44 8.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.718 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -50.0 -50.75 46.12 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.698 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.84 -36.25 69.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.177 0.513 . . . . 0.0 110.504 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.23 -41.75 76.59 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.43 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' B' ' 48' ' ' MET . 0.0 OUTLIER -62.88 -31.2 72.19 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.614 -179.05 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -85.6 -41.72 14.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.175 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' B' ' 54' ' ' TYR . 53.7 t -65.34 -47.88 85.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.415 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' B' ' 55' ' ' VAL . 84.0 mt -61.03 -56.11 24.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.305 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 29.5 t -53.03 -23.52 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.793 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -97.48 -71.1 0.7 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.477 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' B' ' 50' ' ' VAL . 44.6 m-85 -61.16 -27.51 68.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.3 -178.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' B' ' 51' ' ' LEU . 18.8 t -117.06 159.08 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.961 0.41 . . . . 0.0 110.456 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -99.45 72.46 1.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.601 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 m -138.09 133.88 44.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.378 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 87.5 p -89.75 167.34 12.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.392 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.0 mt -68.12 -15.46 63.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.443 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -82.67 -26.31 32.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -97.27 8.19 45.05 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 120.72 0.295 . . . . 0.0 110.411 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 12.7 mt -102.73 122.29 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.989 0.423 . . . . 0.0 110.59 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -93.48 135.16 35.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.626 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . 0.409 HD12 HG22 ' B' ' 64' ' ' ILE . 96.2 mt -131.95 137.53 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.814 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.403 ' OG ' ' OE2' ' B' ' 67' ' ' GLU . 11.5 t -152.15 130.9 12.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.28 179.3 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -118.53 150.56 39.43 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.474 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' B' ' 67' ' ' GLU . 55.3 mp0 -143.97 102.55 3.91 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.105 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -83.24 131.85 35.08 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.933 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.46 ' O ' ' O ' ' B' ' 72' ' ' MET . 0.2 OUTLIER -161.31 123.1 2.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.206 178.614 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.524 ' C ' ' H ' ' B' ' 72' ' ' MET . 95.5 m-20 48.54 -166.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.93 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.23 25.71 0.85 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.587 ' SD ' ' CE1' ' A' ' 8' ' ' PHE . 42.5 ttp -138.7 115.87 11.03 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.877 0.37 . . . . 0.0 110.251 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -100.92 151.79 21.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.432 ' O ' ' OE1' ' B' ' 67' ' ' GLU . 61.2 t -134.38 120.04 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.246 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tp -109.34 108.66 19.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -85.88 110.34 19.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.935 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 tp -116.84 128.59 55.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.569 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . 0.665 HD21 ' N ' ' B' ' 79' ' ' ILE . 0.8 OUTLIER -133.76 127.14 32.13 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 179.668 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.665 ' N ' HD21 ' B' ' 78' ' ' ASN . 3.8 mp -121.35 143.68 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 1.5 m -111.93 106.92 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.9 mp -77.89 133.4 65.83 Favored Pre-proline 0 C--O 1.243 0.76 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.394 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.68 -163.56 0.17 Allowed 'Trans proline' 0 N--CA 1.487 1.129 0 C-N-CA 122.664 2.243 . . . . 0.0 112.178 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.404 ' CD ' ' NH1' ' B' ' 19' ' ' ARG . 16.5 pt-20 -136.77 141.24 42.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.443 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -77.92 121.45 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.339 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -89.39 -78.32 0.36 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.825 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -90.65 138.78 31.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.608 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.8 t -105.38 -41.61 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.457 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.486 ' CD1' ' N ' ' B' ' 88' ' ' LEU . 9.0 mp -70.4 148.81 47.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.547 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.452 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.1 mtp . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.439 ' OG ' ' OE1' ' A' ' 5' ' ' GLU . 11.3 p -71.29 129.19 38.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.41 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.6 mt -66.22 -36.02 81.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 56.4 mt -53.65 -28.6 16.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.665 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 9' ' ' GLY . 8.0 mp0 -77.48 -51.39 10.82 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.51 -41.53 90.13 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.981 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -64.22 -41.0 97.21 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.667 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.589 ' CE2' ' SD ' ' B' ' 72' ' ' MET . 99.3 m-85 -119.99 36.9 4.37 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.834 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 5' ' ' GLU . . . -112.36 62.35 0.3 Allowed Glycine 0 N--CA 1.472 1.046 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.8 ttt-85 -150.68 -51.7 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.843 0.354 . . . . 0.0 110.47 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.26 162.45 37.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.493 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -170.61 68.68 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -74.57 -176.24 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.56 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.3 m -60.45 127.45 31.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.437 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -171.65 95.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.263 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.5 m -128.09 130.65 48.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.303 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -137.34 -167.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.164 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -121.12 9.31 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.64 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -106.89 -174.68 2.59 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.505 0.669 . . . . 0.0 110.542 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.91 164.91 30.52 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.026 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.2 mtm-85 -135.96 155.23 50.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.454 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.99 99.44 4.43 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.301 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -94.85 95.89 8.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.463 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.407 HD12 HG21 ' A' ' 24' ' ' ILE . 91.5 mt -96.32 111.39 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.298 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.0 mt -113.11 131.94 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.2 mt -126.26 144.7 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.474 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.96 103.07 6.1 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.101 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -95.72 122.47 38.52 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.235 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 17.5 mp0 -117.34 111.6 19.57 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.142 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -105.49 125.6 51.17 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.176 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 32' ' ' GLN . . . -71.77 127.74 33.54 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.128 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.679 HE21 ' N ' ' A' ' 32' ' ' GLN . 2.2 mm-40 -28.45 -68.2 0.06 Allowed 'General case' 0 N--CA 1.471 0.624 0 O-C-N 123.796 0.685 . . . . 0.0 110.834 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -48.39 136.09 13.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.431 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.84 161.55 34.44 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -140.43 126.57 19.72 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 110.237 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.49 153.45 65.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.371 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -65.38 -170.61 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 122.737 2.291 . . . . 0.0 112.153 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -89.19 136.94 32.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.611 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -112.0 1.19 16.29 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.679 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.541 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 6.5 mt -64.97 -49.27 68.85 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 58.2 Cg_endo -72.19 -14.29 28.62 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.345 2.03 . . . . 0.0 112.065 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -77.38 -58.93 3.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.942 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.22 -44.19 89.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.945 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.424 ' HE ' HD11 ' A' ' 64' ' ' ILE . 59.1 ttt-85 -57.97 -53.74 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.13 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -50.53 -45.38 56.77 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.879 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.49 -33.5 75.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.32 -44.1 63.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.945 0.402 . . . . 0.0 111.55 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.8 mtp -66.33 -32.65 74.19 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.655 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -81.76 -43.61 18.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.013 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.21 -47.33 84.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 O-C-N 123.262 0.351 . . . . 0.0 110.401 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 55' ' ' VAL . 63.5 mt -59.7 -51.39 69.97 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.575 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.6 m -61.32 -23.9 66.06 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.006 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -92.6 -47.87 6.89 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.839 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -84.88 -24.58 28.45 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.995 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 51' ' ' LEU . 41.1 t -122.45 138.63 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 121.061 0.458 . . . . 0.0 110.597 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -75.22 77.06 2.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.862 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.9 132.64 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.363 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.516 ' OG ' ' ND2' ' A' ' 61' ' ' ASN . 18.5 p -86.34 139.99 30.46 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.9 mt -45.75 -35.03 4.0 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.598 0.561 . . . . 0.0 110.84 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -69.01 -14.76 63.23 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.282 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.516 ' ND2' ' OG ' ' A' ' 58' ' ' SER . 98.6 m-20 -99.89 20.27 14.59 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.711 0.291 . . . . 0.0 110.951 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' A' ' 58' ' ' SER . 2.3 mp -115.51 130.26 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.07 0.462 . . . . 0.0 110.583 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -87.14 113.44 22.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.016 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.424 HD11 ' HE ' ' A' ' 44' ' ' ARG . 42.2 mm -94.38 122.37 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.956 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -145.04 95.2 2.65 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.698 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -97.93 154.91 17.34 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.731 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -146.15 101.39 3.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.154 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -93.08 143.86 25.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.772 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 72' ' ' MET . 1.6 tp-100 -150.37 160.77 43.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.384 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.518 ' C ' ' H ' ' A' ' 72' ' ' MET . 37.7 t70 -65.5 121.82 15.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.98 -34.91 0.62 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.518 ' H ' ' C ' ' A' ' 70' ' ' ASP . 54.0 tpp -108.55 146.39 33.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.414 . . . . 0.0 110.453 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 72' ' ' MET . 87.8 m-20 -145.55 137.34 25.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.095 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 75' ' ' LEU . 53.7 t -131.29 157.37 43.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.908 0.385 . . . . 0.0 110.02 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.433 ' N ' ' CG1' ' A' ' 74' ' ' VAL . 47.4 tp -139.83 115.37 10.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.566 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -103.41 108.41 19.65 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.929 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 38.5 tp -122.83 123.53 41.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.311 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.683 HD21 ' N ' ' A' ' 79' ' ' ILE . 0.6 OUTLIER -128.18 121.01 28.44 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.208 179.378 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.683 ' N ' HD21 ' A' ' 78' ' ' ASN . 4.0 mp -115.7 143.94 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.719 0.295 . . . . 0.0 110.582 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 79.1 m -109.79 116.33 31.48 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.884 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 9.5 mp -81.87 131.08 58.24 Favored Pre-proline 0 C--O 1.24 0.604 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.716 -178.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.417 ' HG2' ' H ' ' A' ' 83' ' ' GLU . 57.4 Cg_endo -73.52 -72.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 122.766 2.311 . . . . 0.0 112.37 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 85' ' ' LYS . 70.2 mm-40 57.54 175.99 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.997 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 63.75 -65.47 0.12 Allowed 'General case' 0 C--N 1.333 -0.136 0 O-C-N 123.453 0.471 . . . . 0.0 110.522 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 83' ' ' GLU . 70.0 mmtt -65.69 117.45 8.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.51 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -172.5 -0.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.424 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 88' ' ' LEU . 3.2 t -92.92 46.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.369 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 87' ' ' VAL . 9.4 mt 70.52 31.51 2.9 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 123.539 0.524 . . . . 0.0 111.638 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--N 1.323 -0.561 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.799 179.346 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 79.8 mtp . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.45 ' OG ' ' OE1' ' B' ' 5' ' ' GLU . 11.1 p -68.85 129.83 41.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.534 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.7 mt -66.84 -35.64 80.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 57.6 mt -54.09 -28.12 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.653 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' B' ' 9' ' ' GLY . 8.4 mp0 -77.73 -51.88 9.85 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.755 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.53 -40.98 88.94 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.036 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.38 -41.27 96.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.748 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -119.97 37.13 4.3 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.766 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' B' ' 5' ' ' GLU . . . -112.8 61.7 0.32 Allowed Glycine 0 N--CA 1.472 1.088 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 51.0 ttt-85 -149.98 -50.79 0.14 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.733 0.302 . . . . 0.0 110.405 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.91 163.79 36.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -171.71 67.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.552 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.22 -176.73 2.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.532 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 27.3 m -60.35 126.79 28.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.503 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.54 96.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.244 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 89.8 m -128.67 130.74 47.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.365 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.3 m -137.43 -166.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.189 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -121.99 9.54 9.99 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.555 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -107.02 -174.91 2.65 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.421 0.629 . . . . 0.0 110.59 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.51 164.79 30.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.066 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 84.7 mtm-85 -136.1 155.68 49.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.504 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.55 99.49 4.36 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.422 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -94.74 95.59 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.416 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 91.4 mt -95.99 111.1 25.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.345 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 94.6 mt -112.78 132.17 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.02 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 72.0 mt -126.66 144.85 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.411 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.09 103.36 6.23 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.243 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -96.07 121.77 38.19 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.223 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' B' ' 29' ' ' GLU . 20.8 mp0 -117.07 111.74 19.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.034 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 ttp85 -105.15 126.05 51.65 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.19 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' B' ' 32' ' ' GLN . . . -72.09 127.16 31.71 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.163 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.687 ' N ' HE21 ' B' ' 32' ' ' GLN . 2.2 mm-40 -28.04 -68.47 0.06 Allowed 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.848 0.717 . . . . 0.0 110.754 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -47.56 137.57 8.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.432 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.63 162.39 36.98 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -141.75 128.97 21.01 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 120.871 0.367 . . . . 0.0 110.337 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p -141.64 164.71 32.98 Favored Pre-proline 0 C--O 1.239 0.526 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.558 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -73.6 -169.99 0.61 Allowed 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 122.862 2.375 . . . . 0.0 112.02 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -91.42 134.64 34.45 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.192 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -109.97 2.46 19.71 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.743 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.524 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 6.6 mt -66.2 -49.0 57.3 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.6 179.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.524 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 58.8 Cg_endo -72.9 -14.07 26.54 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.359 2.04 . . . . 0.0 112.066 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 86.5 m -77.48 -59.31 2.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.76 -44.48 89.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.832 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.421 ' HE ' HD11 ' B' ' 64' ' ' ILE . 59.3 ttt-85 -57.13 -56.59 19.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -47.83 -45.42 29.84 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.939 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.44 -33.84 76.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.776 0.322 . . . . 0.0 110.757 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 88.2 mt -72.46 -44.46 62.31 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.024 0.44 . . . . 0.0 111.561 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 89.8 mmm -65.71 -32.73 74.44 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.586 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -82.27 -42.98 18.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.03 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 44.1 t -66.37 -47.26 84.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.367 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' B' ' 55' ' ' VAL . 62.3 mt -59.88 -51.91 67.71 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.735 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 38.2 m -59.48 -25.32 64.32 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.337 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -92.45 -49.77 5.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.728 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -81.49 -25.33 36.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.32 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' B' ' 51' ' ' LEU . 40.9 t -122.42 137.74 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.068 0.461 . . . . 0.0 110.717 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -74.6 77.33 2.0 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.893 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -140.33 132.25 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.311 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.514 ' O ' ' CD1' ' B' ' 62' ' ' ILE . 18.5 p -85.93 139.96 30.77 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 57.5 mt -45.79 -34.92 4.0 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.646 0.591 . . . . 0.0 110.944 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -68.89 -15.01 63.38 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.336 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . 0.506 ' ND2' ' OG ' ' B' ' 58' ' ' SER . 98.6 m-20 -99.51 19.58 15.44 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.6 0.238 . . . . 0.0 110.897 -179.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' B' ' 58' ' ' SER . 2.2 mp -114.9 130.18 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.056 0.455 . . . . 0.0 110.569 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -87.0 113.48 22.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.102 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . 0.421 HD11 ' HE ' ' B' ' 44' ' ' ARG . 42.5 mm -94.55 122.1 45.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.078 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.5 m -144.87 95.22 2.66 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.651 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -97.89 154.85 17.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.698 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -145.88 101.65 3.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.213 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -93.55 142.77 26.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.836 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' B' ' 72' ' ' MET . 1.6 tp-100 -148.51 161.4 41.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.399 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.54 ' C ' ' H ' ' B' ' 72' ' ' MET . 36.9 t70 -66.46 122.8 18.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.59 -33.87 0.58 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.589 ' SD ' ' CE2' ' A' ' 8' ' ' PHE . 31.4 ttm -110.85 148.01 33.32 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.956 0.408 . . . . 0.0 110.764 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 72' ' ' MET . 85.4 m-20 -146.19 139.42 25.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.199 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . 0.432 ' CG1' ' N ' ' B' ' 75' ' ' LEU . 53.3 t -132.76 157.58 43.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.992 0.425 . . . . 0.0 109.973 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.432 ' N ' ' CG1' ' B' ' 74' ' ' VAL . 47.4 tp -140.0 115.63 10.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.56 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -103.79 107.31 18.13 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.963 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.0 tp -121.73 123.97 43.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.196 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . 0.664 HD21 ' N ' ' B' ' 79' ' ' ILE . 0.7 OUTLIER -128.86 121.06 27.4 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.143 179.393 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.664 ' N ' HD21 ' B' ' 78' ' ' ASN . 4.0 mp -115.7 144.47 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 120.744 0.307 . . . . 0.0 110.501 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 88.3 m -110.3 116.44 31.47 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.846 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' B' ' 81' ' ' LEU . 9.4 mp -81.97 131.02 58.13 Favored Pre-proline 0 C--O 1.241 0.61 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.667 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . 0.408 ' HG2' ' H ' ' B' ' 83' ' ' GLU . 57.7 Cg_endo -73.48 -73.12 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.849 2.366 . . . . 0.0 112.49 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' B' ' 85' ' ' LYS . 69.3 mm-40 58.22 176.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.908 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 64.51 -66.49 0.12 Allowed 'General case' 0 C--N 1.332 -0.172 0 O-C-N 123.48 0.488 . . . . 0.0 110.479 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' B' ' 83' ' ' GLU . 70.4 mmtt -66.59 118.86 10.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.06 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -173.08 -11.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.584 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . 0.463 ' O ' ' CB ' ' B' ' 88' ' ' LEU . 11.6 t -63.97 -38.85 83.48 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.79 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.599 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' B' ' 87' ' ' VAL . 1.6 mt 156.01 16.58 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 O-C-N 124.074 0.858 . . . . 0.0 110.302 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 C--N 1.32 -0.689 0 CA-C-O 118.135 -0.936 . . . . 0.0 110.092 179.959 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.0 mtm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 m -139.09 134.76 33.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.027 0.442 . . . . 0.0 110.563 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 5' ' ' GLU . 10.5 mp -67.43 -36.46 81.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.494 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 67.5 mt -43.29 -23.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.49 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 3' ' ' LEU . 71.3 mm-40 -63.97 -60.17 3.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' CD1' ' N ' ' A' ' 6' ' ' LEU . 10.6 mp -72.6 -36.93 68.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.08 0.467 . . . . 0.0 110.162 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -50.04 -42.62 50.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.368 -178.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -121.48 -68.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 10' ' ' ARG . . . 44.8 -144.54 2.43 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 9' ' ' GLY . 91.3 mtm180 41.03 94.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.372 . . . . 0.0 110.81 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.5 tttm -98.39 -173.46 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.494 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 56.85 95.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.532 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -171.11 -55.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.768 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.4 m -158.58 -19.03 0.07 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.482 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 49.32 -97.46 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.468 ' H ' ' HG1' ' A' ' 16' ' ' THR . 12.1 p -81.65 129.52 34.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.355 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.445 ' O ' ' CB ' ' A' ' 18' ' ' ALA . 66.8 t -104.37 -89.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.37 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.459 ' O ' ' OE1' ' B' ' 33' ' ' GLU . . . 164.18 -41.86 0.0 OUTLIER 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.356 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.18 -168.07 1.79 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.568 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 7.1 p-10 -131.77 145.25 51.49 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.129 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -124.67 158.06 34.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.087 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mp -127.83 123.98 36.46 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.346 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -119.56 96.29 5.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.31 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 94.9 mt -101.1 106.83 20.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.9 mt -103.1 126.5 57.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 86.6 mt -119.48 143.28 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.418 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -139.49 107.28 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.094 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -100.01 132.17 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.66 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.31 109.24 13.11 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.526 HH22 ' CG ' ' A' ' 73' ' ' ASP . 63.3 mtm-85 -110.37 137.96 47.39 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.985 0.421 . . . . 0.0 110.522 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.573 ' O ' ' C ' ' A' ' 32' ' ' GLN . . . -81.25 125.43 30.3 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.241 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.573 ' C ' ' O ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -12.05 -64.15 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 O-C-N 124.084 0.865 . . . . 0.0 110.845 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 32' ' ' GLN . 83.2 tt0 25.77 -88.63 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.335 1.022 . . . . 0.0 110.483 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 32' ' ' GLN . . . 134.04 15.64 1.16 Allowed Glycine 0 C--N 1.333 0.407 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 177.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' PRO . 1.5 mp0 -98.69 -82.53 0.43 Allowed 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.352 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' GLN . 35.9 m -36.88 94.72 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.561 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.389 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.434 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 31.6 Cg_exo -52.25 -56.59 2.75 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 C-N-CA 122.389 2.06 . . . . 0.0 112.548 -178.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.588 ' C ' ' H ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -177.57 -45.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.581 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 56.1 1.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.601 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -67.57 -44.05 43.07 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.531 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 23.9 Cg_exo -66.08 -14.21 43.37 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.762 2.308 . . . . 0.0 111.563 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.7 m -83.2 -49.38 9.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.826 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.06 -43.84 90.97 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.747 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.446 ' O ' ' SD ' ' A' ' 48' ' ' MET . 60.1 ttp180 -60.89 -51.69 68.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -54.84 -46.97 74.71 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.592 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.25 -37.67 72.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.675 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.33 -42.13 72.31 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.937 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.598 ' N ' ' SD ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -61.62 -32.76 72.91 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 120.93 0.395 . . . . 0.0 110.885 -179.389 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -84.1 -41.44 17.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.339 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.15 -48.28 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.176 0.512 . . . . 0.0 110.93 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 55' ' ' VAL . 3.3 mm? -60.65 -54.29 47.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.22 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.0 m -56.55 -24.29 46.04 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.131 -0.627 . . . . 0.0 110.887 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -93.26 -76.02 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.845 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -58.59 -25.44 62.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.397 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.449 ' O ' ' O ' ' A' ' 51' ' ' LEU . 18.7 t -118.2 149.11 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.254 0.55 . . . . 0.0 110.715 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -93.23 87.17 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.285 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 m -141.41 131.59 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.397 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.628 ' C ' ' H ' ' A' ' 60' ' ' ASP . 34.5 t -80.7 142.33 34.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.204 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mt -54.24 -0.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.234 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.628 ' H ' ' C ' ' A' ' 58' ' ' SER . 34.5 t70 -88.71 -20.79 24.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.528 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -101.68 14.16 32.78 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.708 0.289 . . . . 0.0 110.574 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -93.47 109.9 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 0.0 110.597 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -95.52 123.44 39.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.89 179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 95.9 mt -122.97 139.67 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.6 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t -153.86 95.77 1.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.145 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -86.67 153.2 21.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -147.93 146.69 29.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -138.96 137.2 36.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.73 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.36 127.95 0.12 Allowed 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.663 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 72' ' ' MET . 22.9 t0 54.92 58.31 4.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.674 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 44.67 17.52 0.09 OUTLIER Glycine 0 C--O 1.239 0.409 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.613 ' SD ' ' CD2' ' B' ' 8' ' ' PHE . 32.1 ttm -116.63 99.75 7.35 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.926 0.394 . . . . 0.0 110.466 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.526 ' CG ' HH22 ' A' ' 30' ' ' ARG . 93.1 m-20 -91.0 140.36 29.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.462 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -132.6 118.54 35.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.516 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.1 tp -106.22 104.47 14.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.747 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -89.28 120.19 30.43 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.793 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 tp -126.43 130.24 50.3 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.749 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.431 HD21 ' N ' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -132.33 124.08 28.09 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.202 179.257 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.431 ' N ' HD21 ' A' ' 78' ' ' ASN . 1.8 mp -123.95 151.14 28.69 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.307 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.1 m -113.55 115.42 27.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.721 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.461 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 10.0 mp -85.53 117.82 69.49 Favored Pre-proline 0 C--O 1.246 0.895 0 O-C-N 123.448 0.468 . . . . 0.0 110.576 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.37 141.93 80.78 Favored 'Trans proline' 0 C--N 1.318 -1.029 0 C-N-CA 122.667 2.245 . . . . 0.0 111.841 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -74.67 -41.51 60.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.707 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -83.62 125.05 31.43 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.468 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -160.57 149.95 17.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.402 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -114.04 129.28 56.62 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.897 0.38 . . . . 0.0 110.294 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.37 136.39 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.379 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 71.2 mt -111.67 130.29 55.82 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.403 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.615 179.839 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -140.52 135.69 32.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.18 0.514 . . . . 0.0 110.504 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' B' ' 3' ' ' LEU . 10.5 mp -68.81 -35.95 77.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.609 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 64.6 mt -43.74 -24.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -63.82 -60.68 2.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.01 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.428 ' CD1' ' N ' ' B' ' 6' ' ' LEU . 10.5 mp -72.32 -37.56 68.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.092 0.472 . . . . 0.0 110.252 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tt -49.3 -41.62 38.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.198 -178.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . 0.613 ' CD2' ' SD ' ' A' ' 72' ' ' MET . 31.0 m-85 -123.04 -69.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' B' ' 10' ' ' ARG . . . 45.33 -143.47 3.37 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' B' ' 9' ' ' GLY . 90.9 mtm180 40.59 94.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.951 0.405 . . . . 0.0 110.79 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -98.76 -174.9 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.586 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 58.73 95.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.313 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -171.23 -56.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.875 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.2 m -158.28 -18.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.543 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 47.96 -98.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.66 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.407 ' H ' ' HG1' ' B' ' 16' ' ' THR . 14.7 p -79.18 129.79 34.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.448 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.436 ' O ' ' CB ' ' B' ' 18' ' ' ALA . 71.1 t -105.2 -89.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.364 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . 0.446 ' O ' ' OE1' ' A' ' 33' ' ' GLU . . . 163.41 -41.21 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.412 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.62 -168.48 1.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.567 ' N ' ' OD1' ' B' ' 20' ' ' ASP . 7.2 p-10 -131.5 145.06 51.57 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.021 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -124.72 157.26 36.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.051 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 4.2 mp -127.01 124.47 39.46 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.456 179.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -119.86 95.5 4.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.238 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 95.4 mt -100.5 107.03 20.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.976 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.2 mt -103.21 127.72 56.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.693 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 85.2 mt -121.1 141.72 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.424 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -138.09 107.56 6.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.078 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -100.26 131.35 46.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.9 109.6 14.36 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.53 HH22 ' CG ' ' B' ' 73' ' ' ASP . 64.3 mtm-85 -111.16 137.39 48.91 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.069 0.462 . . . . 0.0 110.346 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.557 ' O ' ' C ' ' B' ' 32' ' ' GLN . . . -80.97 126.73 31.74 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.308 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.557 ' C ' ' O ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -14.59 -65.74 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 O-C-N 124.107 0.88 . . . . 0.0 110.788 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' B' ' 32' ' ' GLN . 84.5 tt0 28.21 -89.26 0.0 OUTLIER 'General case' 0 C--N 1.341 0.206 0 O-C-N 124.046 0.841 . . . . 0.0 110.76 178.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' B' ' 32' ' ' GLN . . . 150.83 -13.77 0.88 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . 0.418 ' OE1' ' OE2' ' B' ' 33' ' ' GLU . 3.8 mp0 -84.62 -156.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 8.6 m 39.77 73.81 0.78 Allowed Pre-proline 0 N--CA 1.448 -0.536 0 CA-C-O 121.124 0.488 . . . . 0.0 110.3 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.417 ' O ' ' OD1' ' B' ' 38' ' ' ASP . 2.4 Cg_endo -43.61 -50.96 6.56 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.443 2.096 . . . . 0.0 112.562 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.555 ' C ' ' H ' ' B' ' 40' ' ' LEU . 0.3 OUTLIER -177.86 -48.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.632 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 59.35 -0.6 0.16 Allowed 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.114 0.483 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.596 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 0.5 OUTLIER -66.52 -44.33 55.27 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.549 -179.819 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 24.7 Cg_exo -65.27 -15.01 48.06 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.686 2.257 . . . . 0.0 111.716 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 33.5 m -81.95 -49.32 10.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.02 -43.63 91.8 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.777 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.484 ' O ' ' SD ' ' B' ' 48' ' ' MET . 60.3 ttp180 -61.04 -51.1 70.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -55.45 -46.74 76.73 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.578 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.93 73.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.935 0.398 . . . . 0.0 110.577 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 97.7 mt -70.14 -41.78 73.41 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.989 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' MET . . . . . 0.6 ' N ' ' SD ' ' B' ' 48' ' ' MET . 0.0 OUTLIER -61.74 -33.85 74.79 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.969 0.414 . . . . 0.0 110.942 -179.47 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -83.08 -41.96 17.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.5 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.53 -48.82 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.051 0.453 . . . . 0.0 110.86 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' B' ' 55' ' ' VAL . 3.1 mm? -59.94 -54.8 41.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.319 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 30.0 m -55.83 -25.33 41.25 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.732 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -92.46 -76.61 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.914 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -57.81 -25.64 60.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.471 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.465 ' O ' ' O ' ' B' ' 51' ' ' LEU . 19.9 t -118.29 148.76 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.273 0.559 . . . . 0.0 110.757 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -92.8 88.8 6.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.207 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 m -142.88 132.74 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.015 0.436 . . . . 0.0 110.301 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.617 ' C ' ' H ' ' B' ' 60' ' ' ASP . 29.5 t -81.65 141.69 33.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.25 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 8.5 mt -53.56 -1.12 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.711 0.291 . . . . 0.0 111.223 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . 0.617 ' H ' ' C ' ' B' ' 58' ' ' SER . 32.8 t70 -88.4 -20.75 24.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.45 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -101.42 13.18 35.82 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.639 0.257 . . . . 0.0 110.655 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.406 ' N ' ' CD1' ' B' ' 62' ' ' ILE . 1.6 mp -92.46 110.18 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.947 0.404 . . . . 0.0 110.7 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 42.9 ttm180 -95.55 123.63 39.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.822 179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 96.1 mt -123.38 138.97 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.747 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.6 t -153.11 96.39 2.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.156 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -87.24 152.74 22.05 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -147.63 147.2 29.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.539 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -139.53 137.6 35.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.699 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.14 128.53 0.1 Allowed 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.665 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.473 ' C ' ' H ' ' B' ' 72' ' ' MET . 22.4 t0 54.64 55.65 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.835 0.35 . . . . 0.0 110.82 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 47.54 14.48 0.21 Allowed Glycine 0 CA--C 1.52 0.364 0 N-CA-C 111.296 -0.721 . . . . 0.0 111.296 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.473 ' H ' ' C ' ' B' ' 70' ' ' ASP . 55.1 tpp -113.1 98.92 7.45 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . 0.53 ' CG ' HH22 ' B' ' 30' ' ' ARG . 92.5 m-20 -89.85 140.84 29.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.316 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 83.6 t -133.4 118.56 31.75 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.507 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 6.1 tp -106.32 104.83 14.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -89.46 118.78 29.36 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.967 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tp -124.63 130.14 51.87 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.767 -179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . 0.458 HD21 ' N ' ' B' ' 79' ' ' ILE . 0.8 OUTLIER -132.48 123.24 26.23 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.129 179.127 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.458 ' N ' HD21 ' B' ' 78' ' ' ASN . 1.6 mp -123.3 151.66 27.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.448 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 29.4 m -114.09 115.74 28.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.678 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.447 ' O ' ' OD1' ' B' ' 20' ' ' ASP . 9.9 mp -86.11 117.73 69.2 Favored Pre-proline 0 C--O 1.245 0.843 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.627 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -55.27 144.04 73.03 Favored 'Trans proline' 0 C--N 1.317 -1.091 0 C-N-CA 122.578 2.186 . . . . 0.0 111.933 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -77.26 -40.71 43.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.626 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -84.54 123.45 30.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.323 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -158.93 149.86 20.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.442 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -114.31 129.88 56.65 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 110.276 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 8.7 p -139.99 137.77 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.378 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 70.8 mt -112.67 131.5 55.62 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.475 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.895 -1.05 . . . . 0.0 110.514 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ttt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.4 m -143.0 146.53 33.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.544 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.0 mt -65.27 -33.33 75.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.576 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 53.4 mt -54.29 -30.51 21.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.609 ' O ' ' N ' ' A' ' 9' ' ' GLY . 75.5 mm-40 -70.66 -48.27 55.71 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.467 ' N ' ' CD2' ' A' ' 6' ' ' LEU . 4.2 mm? -66.96 -40.76 87.57 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.973 0.416 . . . . 0.0 110.945 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.8 mt -62.51 -44.31 96.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.446 -178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.497 ' CZ ' ' SD ' ' B' ' 72' ' ' MET . 96.7 m-85 -118.67 20.28 12.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.542 -178.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.609 ' N ' ' O ' ' A' ' 5' ' ' GLU . . . -49.8 -28.03 10.68 Favored Glycine 0 C--N 1.32 -0.316 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -69.43 -140.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 110.457 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.417 ' HB3' ' NZ ' ' A' ' 11' ' ' LYS . 3.4 mtmp? -74.81 157.69 34.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.4 mp0 -71.92 -9.21 58.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.634 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.518 ' C ' ' H ' ' A' ' 15' ' ' ALA . 58.4 tttp 65.29 158.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.667 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 16' ' ' THR . 1.6 t -49.18 -11.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.552 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' A' ' 13' ' ' LYS . . . 56.39 -88.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.727 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 14' ' ' THR . 80.8 p -62.31 87.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.58 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.4 p -89.28 -6.63 10.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 69.26 32.21 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.569 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' HG3' ' H ' ' A' ' 20' ' ' ASP . 2.8 tpt180 -163.74 -173.37 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.512 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.437 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 86.7 m-20 -132.33 145.86 51.57 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.317 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.0 ttm105 -137.35 156.87 47.71 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.709 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.88 100.52 4.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.867 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -94.65 97.1 9.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.98 0.419 . . . . 0.0 110.333 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -98.6 108.57 22.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.296 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 94.8 mt -111.37 121.3 63.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 86.6 mt -114.02 118.57 58.77 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.116 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.2 97.17 6.9 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' NE2' ' CD1' ' A' ' 39' ' ' TYR . 6.6 tt0 -101.47 141.34 34.49 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.858 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 12.7 mp0 -134.88 111.89 10.23 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.271 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -117.54 137.43 52.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.029 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.74 169.77 16.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.07 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -54.84 -20.73 9.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.798 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -59.27 147.62 35.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.84 166.82 41.1 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -144.48 157.38 44.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.781 0.324 . . . . 0.0 110.385 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.9 p 40.61 84.73 0.18 Allowed Pre-proline 0 C--O 1.233 0.222 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.366 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.419 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 55.3 Cg_endo -73.94 -174.65 1.8 Allowed 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.854 2.369 . . . . 0.0 112.023 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 1.0 OUTLIER 165.79 95.14 0.0 OUTLIER 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.41 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 9.4 p90 -160.34 -30.95 0.06 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.8 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.487 ' CB ' ' CD ' ' A' ' 41' ' ' PRO . 3.0 mt -56.49 -61.92 5.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.769 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 40' ' ' LEU . 48.2 Cg_endo -67.77 -11.66 32.84 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.735 2.29 . . . . 0.0 112.095 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.7 m -76.87 -53.1 8.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.06 -42.9 83.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.592 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -58.86 -50.95 72.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.56 ' CB ' ' HZ3' ' A' ' 45' ' ' LYS . 2.0 ttmp? -55.76 -46.87 77.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 -178.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.05 -37.89 84.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.941 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.94 -41.98 73.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.132 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.1 mmt -66.1 -30.08 70.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.413 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -84.36 -43.83 14.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' TYR . 42.4 t -64.68 -50.01 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.759 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.514 ' O ' ' O ' ' A' ' 55' ' ' VAL . 67.8 mt -60.25 -55.63 31.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.118 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.3 t -51.46 -25.62 6.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.946 0.403 . . . . 0.0 110.667 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -95.45 -70.54 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.369 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' VAL . 43.8 m-85 -62.13 -25.53 67.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' A' ' 51' ' ' LEU . 23.1 t -120.13 156.05 23.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.285 0.564 . . . . 0.0 110.828 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -101.69 90.45 4.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.824 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.17 130.24 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.302 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.595 ' C ' ' H ' ' A' ' 60' ' ' ASP . 70.0 m -83.79 143.56 29.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.455 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.442 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 4.4 mm? -51.49 -4.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.946 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.595 ' H ' ' C ' ' A' ' 58' ' ' SER . 97.8 m-20 -88.49 -22.86 23.42 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.186 0.517 . . . . 0.0 110.704 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -96.96 11.38 36.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.93 0.395 . . . . 0.0 110.816 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 63' ' ' ARG . 1.7 mp -92.86 159.63 2.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.09 0.471 . . . . 0.0 109.852 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.494 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 67.0 ttt180 -132.38 109.47 9.87 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.646 177.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.404 HG23 HD13 ' A' ' 64' ' ' ILE . 22.5 mm -94.84 120.95 44.98 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.192 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 76' ' ' GLU . 2.7 p -148.11 100.91 3.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.153 179.318 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -99.06 150.28 22.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.839 0.352 . . . . 0.0 110.449 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -145.5 141.64 28.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.012 0.434 . . . . 0.0 110.701 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -152.68 133.92 14.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.628 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -174.28 116.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.69 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 72' ' ' MET . 15.5 t0 72.8 62.99 0.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.033 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 44.21 16.05 0.05 OUTLIER Glycine 0 C--O 1.239 0.437 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.613 ' SD ' ' CE1' ' B' ' 8' ' ' PHE . 54.0 ttm -109.08 108.57 19.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.021 0.439 . . . . 0.0 110.287 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -95.59 120.17 35.37 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.33 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.9 t -122.75 108.47 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 121.041 0.448 . . . . 0.0 110.324 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 tt -94.55 110.21 22.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.571 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.457 ' O ' ' OG ' ' A' ' 65' ' ' SER . 83.3 tt0 -97.71 118.67 34.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.127 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.6 tp -135.62 130.76 34.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.627 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -132.04 130.57 41.52 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.206 0.527 . . . . 0.0 110.361 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.9 mp -128.64 150.35 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.807 -179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.4 m -116.9 113.79 22.95 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 mp -83.71 140.79 41.04 Favored Pre-proline 0 C--O 1.238 0.496 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.73 159.39 48.66 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.762 2.308 . . . . 0.0 112.396 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -91.13 -17.89 25.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.486 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -73.82 133.71 43.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.356 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -169.74 -104.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.368 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt 40.59 69.14 0.35 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.809 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.5 t -73.77 135.95 26.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.445 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.3 mt -45.47 141.0 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.379 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 . . . . . 0 C--O 1.222 -0.386 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.491 -179.612 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m -141.96 146.47 35.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.604 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 53.1 mt -65.58 -32.77 74.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.56 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 55.7 mt -54.49 -30.54 21.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.653 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.634 ' O ' ' N ' ' B' ' 9' ' ' GLY . 74.0 mm-40 -70.8 -49.34 47.45 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.786 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' B' ' 6' ' ' LEU . 4.4 mm? -65.96 -40.51 91.34 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.918 0.39 . . . . 0.0 111.103 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 72.1 mt -62.57 -44.29 96.7 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.424 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' PHE . . . . . 0.613 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 96.7 m-85 -119.08 21.14 12.47 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.605 -179.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . 0.634 ' N ' ' O ' ' B' ' 5' ' ' GLU . . . -51.89 -25.81 17.02 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.684 -0.967 . . . . 0.0 110.684 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -70.93 -136.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.626 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -77.26 154.55 32.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.658 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 22.4 mp0 -69.15 -11.89 61.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.619 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . 0.532 ' C ' ' H ' ' B' ' 15' ' ' ALA . 58.2 tttp 67.25 158.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.583 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . 0.405 ' O ' ' N ' ' B' ' 16' ' ' THR . 1.7 t -49.1 -11.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.668 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ALA . . . . . 0.532 ' H ' ' C ' ' B' ' 13' ' ' LYS . . . 56.47 -88.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.716 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' THR . . . . . 0.405 ' N ' ' O ' ' B' ' 14' ' ' THR . 81.1 p -61.61 87.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -89.4 -6.55 10.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.63 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 69.03 34.14 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.443 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . 0.432 ' HG3' ' H ' ' B' ' 20' ' ' ASP . 2.8 tpt180 -165.83 -173.67 2.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.584 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.432 ' H ' ' HG3' ' B' ' 19' ' ' ARG . 86.2 m-20 -132.33 145.6 51.38 Favored 'General case' 0 C--N 1.335 -0.03 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.359 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' B' ' 21' ' ' ARG . 28.2 ttm105 -137.11 156.57 48.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.699 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.48 100.57 4.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -94.44 96.88 9.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.03 0.443 . . . . 0.0 110.244 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -98.68 108.51 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.434 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 90.5 mt -111.17 122.47 65.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 86.2 mt -115.13 118.13 57.82 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.058 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.77 96.66 6.54 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.404 ' NE2' ' CD1' ' B' ' 39' ' ' TYR . 6.7 tt0 -100.77 141.08 34.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.41 . . . . 0.0 110.926 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' B' ' 29' ' ' GLU . 10.4 mp0 -134.34 111.93 10.59 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.303 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -117.92 138.01 52.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.973 0.415 . . . . 0.0 111.028 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.89 169.07 16.46 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.101 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -54.05 -20.8 7.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -59.22 147.77 34.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.467 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.52 166.84 41.36 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -144.02 157.89 44.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.687 0.279 . . . . 0.0 110.453 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 50.5 p 40.07 86.03 0.14 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.372 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.428 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 55.8 Cg_endo -74.93 -174.98 2.12 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.839 2.359 . . . . 0.0 112.018 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 0.8 OUTLIER 166.08 95.86 0.0 OUTLIER 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.421 179.81 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' B' ' 40' ' ' LEU . 9.2 p90 -161.0 -32.39 0.05 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.758 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.477 ' CB ' ' CD ' ' B' ' 41' ' ' PRO . 3.2 mt -55.34 -61.47 6.0 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.669 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' B' ' 40' ' ' LEU . 45.5 Cg_endo -67.83 -11.93 33.73 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.762 2.308 . . . . 0.0 112.045 178.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.7 m -77.14 -52.9 8.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.274 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.16 -42.77 83.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -59.21 -50.59 73.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.769 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . 0.55 ' CB ' ' HZ3' ' B' ' 45' ' ' LYS . 1.9 ttmp? -56.15 -46.68 79.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.552 -178.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.15 -37.64 83.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.26 -42.02 72.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.141 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 17.6 mmt -65.92 -30.28 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.481 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -84.3 -43.68 14.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' B' ' 54' ' ' TYR . 42.0 t -64.94 -49.77 78.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.736 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.515 ' O ' ' O ' ' B' ' 55' ' ' VAL . 76.9 mt -60.24 -55.71 30.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.163 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.5 t -51.71 -25.39 7.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.957 0.408 . . . . 0.0 110.691 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -95.57 -70.7 0.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.284 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.468 ' N ' ' O ' ' B' ' 50' ' ' VAL . 44.7 m-85 -62.18 -25.55 67.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.515 ' O ' ' O ' ' B' ' 51' ' ' LEU . 25.2 t -120.13 156.38 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.262 0.553 . . . . 0.0 110.762 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -101.76 91.04 4.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.661 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.59 130.15 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.291 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' SER . . . . . 0.617 ' C ' ' H ' ' B' ' 60' ' ' ASP . 70.8 m -83.71 143.29 30.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.426 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' B' ' 59' ' ' LEU . 4.4 mm? -51.34 -4.56 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.951 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . 0.617 ' H ' ' C ' ' B' ' 58' ' ' SER . 97.0 m-20 -88.75 -22.99 23.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.158 0.504 . . . . 0.0 110.708 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -96.83 11.27 36.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.9 0.381 . . . . 0.0 110.786 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' B' ' 63' ' ' ARG . 1.7 mp -92.82 159.62 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.121 0.486 . . . . 0.0 109.803 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.48 ' N ' ' CG2' ' B' ' 62' ' ' ILE . 66.8 ttt180 -131.84 109.72 10.31 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.66 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . 0.431 HG23 HD13 ' B' ' 64' ' ' ILE . 25.7 mm -95.2 121.0 45.37 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.989 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.483 ' OG ' ' O ' ' B' ' 76' ' ' GLU . 2.7 p -148.57 102.1 3.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 41.6 tt0 -100.19 150.39 22.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.969 0.414 . . . . 0.0 110.355 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -145.03 142.27 29.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.667 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -153.26 133.45 13.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.704 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -173.89 116.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.684 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' B' ' 72' ' ' MET . 16.2 t0 72.46 63.69 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 44.31 15.34 0.04 OUTLIER Glycine 0 C--O 1.239 0.441 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.533 ' N ' ' O ' ' B' ' 70' ' ' ASP . 4.6 tpp -108.25 109.67 21.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.001 0.429 . . . . 0.0 110.469 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -96.87 120.5 37.32 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.315 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 43.1 t -123.45 108.67 21.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.027 0.441 . . . . 0.0 110.392 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.4 tt -94.54 110.74 22.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.609 -179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.483 ' O ' ' OG ' ' B' ' 65' ' ' SER . 82.2 tt0 -98.2 118.04 33.94 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.152 0.501 . . . . 0.0 110.128 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 11.4 tp -135.15 130.68 35.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.65 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -131.79 130.68 42.14 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.225 0.535 . . . . 0.0 110.425 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.9 mp -128.65 150.49 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.803 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 4.6 m -117.08 112.88 21.52 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.066 0.46 . . . . 0.0 109.769 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 mp -82.71 140.98 44.17 Favored Pre-proline 0 C--O 1.24 0.602 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.789 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -73.36 159.52 46.59 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.777 2.318 . . . . 0.0 112.416 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -91.08 -17.4 26.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.544 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -73.74 133.71 43.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.467 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -170.02 -105.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.34 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 41.31 68.98 0.38 Allowed 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.774 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 17.6 t -73.35 136.14 26.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.498 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 53.4 mt -46.18 141.55 3.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.313 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.892 -1.051 . . . . 0.0 110.464 -179.177 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.485 HH21 HG21 ' A' ' 80' ' ' THR . 14.5 mtp180 . . . . . 0 C--O 1.234 0.267 0 CA-C-O 121.041 0.448 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -121.35 150.17 41.86 Favored 'General case' 0 C--O 1.227 -0.091 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.779 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.563 ' HD3' HD22 ' A' ' 78' ' ' ASN . 43.7 ttm180 -137.4 156.2 48.47 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.85 123.8 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.782 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -121.57 95.62 4.75 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.712 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 80.3 mt -99.16 114.3 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.271 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -103.57 120.34 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.83 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 86.1 mt -107.22 127.45 62.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.315 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.55 93.3 3.81 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.94 0.4 . . . . 0.0 110.007 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.597 ' NE2' ' CD2' ' A' ' 40' ' ' LEU . 18.6 tt0 -92.41 124.2 36.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.573 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -120.07 121.71 39.47 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -126.77 136.04 51.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.937 0.398 . . . . 0.0 110.59 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.969 179.698 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.425 ' HB2' HE22 ' A' ' 28' ' ' GLN . 94.8 m-85 . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 121.072 0.463 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.597 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 4.0 mm? -65.02 -59.94 9.05 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.751 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.15 -11.86 33.04 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.127 1.885 . . . . 0.0 112.059 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.1 m -75.04 -53.57 8.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.85 0.357 . . . . 0.0 110.962 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.47 -42.11 92.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -59.34 -43.43 92.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.686 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.59 -49.99 75.32 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.464 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -61.98 -33.5 74.43 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.001 0.429 . . . . 0.0 110.655 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.2 mt -73.22 -40.04 65.02 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.166 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.1 mmt -65.16 -37.58 87.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.841 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -81.6 -41.71 21.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.253 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 46' ' ' ALA . 45.1 t -64.49 -49.19 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.233 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 55' ' ' VAL . 68.1 mt -61.54 -50.6 72.01 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.41 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.0 p -52.86 -28.99 25.47 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.646 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -93.35 -66.08 0.95 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.47 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -61.84 -26.89 68.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.314 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 51' ' ' LEU . 38.8 t -121.39 153.13 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.934 0.397 . . . . 0.0 110.629 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -95.37 74.98 3.34 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.418 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.9 m -131.92 129.2 60.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 110.343 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.538 ' C ' ' H ' ' A' ' 60' ' ' ASP . 47.9 t -83.49 142.85 30.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.552 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.3 mm? -52.51 -4.19 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.604 0.24 . . . . 0.0 110.575 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.538 ' H ' ' C ' ' A' ' 58' ' ' SER . 97.3 m-20 -84.71 -21.19 30.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -105.12 17.59 23.81 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.6 0.238 . . . . 0.0 110.802 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -95.04 113.75 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -97.44 121.49 39.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.42 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.66 138.56 48.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.462 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 t -153.08 97.26 2.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.24 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -87.26 150.74 23.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.257 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -148.53 102.73 3.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.198 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -98.72 152.1 20.03 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.624 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -163.71 108.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 51.94 -118.04 1.23 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.658 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.25 18.12 54.61 Favored Glycine 0 N--CA 1.467 0.766 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 49.1 ttm -129.78 126.78 38.96 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.016 0.436 . . . . 0.0 110.541 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -124.85 144.97 50.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.887 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.4 t -137.59 117.35 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.53 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.504 HD12 HD12 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -105.91 112.79 25.99 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.175 0.512 . . . . 0.0 109.985 -179.737 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -94.5 117.52 30.25 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.293 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.535 HD23 HD11 ' A' ' 79' ' ' ILE . 8.6 tp -123.55 126.05 45.97 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.932 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.563 HD22 ' HD3' ' A' ' 21' ' ' ARG . 38.0 t-20 -125.92 121.25 32.6 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.867 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.535 HD11 HD23 ' A' ' 77' ' ' LEU . 2.7 mp -117.71 138.89 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.485 HG21 HH21 ' A' ' 19' ' ' ARG . 2.9 m -106.26 112.26 25.2 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.6 mp -78.45 121.39 83.67 Favored Pre-proline 0 C--O 1.243 0.719 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.189 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo . . . . . 0 N--CA 1.485 1.024 0 C-N-CA 122.027 1.818 . . . . 0.0 112.232 -179.753 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.494 HH21 HG21 ' B' ' 80' ' ' THR . 14.6 mtp180 . . . . . 0 C--O 1.234 0.257 0 CA-C-O 120.949 0.404 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -121.59 149.83 42.57 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.811 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.563 ' HD3' HD22 ' B' ' 78' ' ' ASN . 43.7 ttm180 -136.86 156.15 48.85 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.82 123.75 22.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.83 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -121.47 95.3 4.62 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.885 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 79.6 mt -98.98 114.08 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.309 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -103.38 120.36 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.928 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.5 mt -107.2 127.62 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.347 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.74 93.32 3.81 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.963 0.411 . . . . 0.0 110.033 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.595 ' NE2' ' CD2' ' B' ' 40' ' ' LEU . 18.4 tt0 -92.57 123.67 36.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.536 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -119.71 121.42 39.19 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -126.43 135.76 51.8 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.526 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.982 179.73 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.4 ' HB2' HE22 ' B' ' 28' ' ' GLN . 97.8 m-85 . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 120.707 0.289 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.595 ' CD2' ' NE2' ' B' ' 28' ' ' GLN . 3.9 mm? -63.61 -60.71 8.54 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.092 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -66.51 -11.8 33.16 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 122.326 2.017 . . . . 0.0 111.779 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 93.6 m -74.95 -53.71 8.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.923 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.62 -42.12 91.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.63 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -59.42 -43.46 93.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.511 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.59 -49.84 75.93 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.415 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.528 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -62.13 -33.44 74.49 Favored 'General case' 0 CA--C 1.512 -0.519 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.658 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.3 -39.97 64.89 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.133 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 17.2 mmt -65.25 -37.55 87.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.822 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -81.62 -41.61 21.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 46' ' ' ALA . 43.4 t -64.58 -49.16 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' B' ' 55' ' ' VAL . 69.9 mt -61.46 -50.7 71.73 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.454 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -52.76 -29.17 25.75 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.648 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -93.27 -66.07 0.95 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.885 0.374 . . . . 0.0 111.443 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -61.87 -26.91 68.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.383 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' B' ' 51' ' ' LEU . 38.8 t -121.25 153.32 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 121.011 0.434 . . . . 0.0 110.581 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -95.56 74.92 3.25 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.489 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 4.0 m -131.85 129.37 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.904 0.383 . . . . 0.0 110.364 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.561 ' C ' ' H ' ' B' ' 60' ' ' ASP . 46.8 t -83.5 142.73 30.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.529 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.479 HD22 ' N ' ' B' ' 59' ' ' LEU . 4.3 mm? -52.54 -3.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.708 0.29 . . . . 0.0 110.655 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASP . . . . . 0.561 ' H ' ' C ' ' B' ' 58' ' ' SER . 96.9 m-20 -84.94 -21.02 29.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -105.17 17.15 24.54 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.575 0.226 . . . . 0.0 110.755 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -94.77 113.81 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -97.51 121.56 39.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.432 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.93 138.6 49.13 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.544 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.4 t -152.96 97.28 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.291 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -87.25 150.61 23.78 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.293 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -148.28 102.72 3.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.183 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -98.92 150.7 21.66 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -161.96 109.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.243 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 51.3 -117.54 1.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.674 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.46 17.99 54.33 Favored Glycine 0 N--CA 1.468 0.782 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 49.4 ttm -129.6 125.79 36.98 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.028 0.442 . . . . 0.0 110.585 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -123.85 144.88 49.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.968 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 84.3 t -137.63 117.26 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.384 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.527 HD12 HD12 ' B' ' 40' ' ' LEU . 0.9 OUTLIER -105.95 112.96 26.22 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.134 0.492 . . . . 0.0 109.776 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -94.65 117.47 30.17 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.271 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.535 HD23 HD11 ' B' ' 79' ' ' ILE . 8.8 tp -123.42 126.22 46.39 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.929 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ASN . . . . . 0.563 HD22 ' HD3' ' B' ' 21' ' ' ARG . 38.8 t-20 -126.09 121.42 32.86 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.882 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.535 HD11 HD23 ' B' ' 77' ' ' LEU . 2.7 mp -117.85 139.16 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' THR . . . . . 0.494 HG21 HH21 ' B' ' 19' ' ' ARG . 2.9 m -106.53 112.08 24.93 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.34 121.2 83.49 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.083 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 N--CA 1.486 1.049 0 C-N-CA 122.074 1.849 . . . . 0.0 112.248 -179.825 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.238 0.45 0 CA-C-O 121.28 0.562 . . . . 0.0 110.445 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' B' ' 29' ' ' GLU . 12.0 t70 -146.41 164.91 30.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.35 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 98.0 mtt180 -135.36 153.64 51.77 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.419 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.36 98.4 4.23 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.258 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -95.42 97.49 9.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.796 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.7 mt -101.76 109.48 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.44 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.4 mm -102.31 126.6 56.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.911 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.7 mt -116.87 134.61 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.351 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.11 109.47 9.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.145 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -101.93 126.0 48.74 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.536 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' B' ' 20' ' ' ASP . 81.6 tt0 -123.22 110.23 14.98 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.7 mtm-85 -105.35 138.76 41.03 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.746 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.33 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 . . . . . 0 N--CA 1.466 0.352 0 CA-C-O 120.83 0.347 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.532 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 8.0 mt -68.88 -49.11 27.89 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.414 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 60.6 Cg_endo -75.26 -12.96 21.01 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 122.324 2.016 . . . . 0.0 111.798 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.4 m -76.71 -54.03 7.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.662 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.26 -42.22 88.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -58.83 -43.5 90.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.789 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -62.39 -47.74 82.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.719 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -61.5 -36.34 80.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.021 0.439 . . . . 0.0 110.812 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.0 mt -71.91 -41.56 67.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.145 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.7 mmt -65.83 -33.5 75.98 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.769 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -83.61 -41.71 17.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 46' ' ' ALA . 47.7 t -65.15 -48.71 82.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.186 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.486 ' O ' ' O ' ' A' ' 55' ' ' VAL . 70.2 mt -60.76 -55.86 28.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.078 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -50.85 -27.13 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.811 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -94.63 -69.92 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.474 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' VAL . 44.8 m-85 -61.38 -26.25 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.5 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.486 ' O ' ' O ' ' A' ' 51' ' ' LEU . 25.9 t -118.77 152.66 21.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 121.202 0.525 . . . . 0.0 110.569 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -97.88 87.19 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.427 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.96 133.17 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.268 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.524 ' C ' ' H ' ' A' ' 60' ' ' ASP . 13.0 t -86.04 143.5 28.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.165 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.9 mt -52.63 -4.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.87 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.524 ' H ' ' C ' ' A' ' 58' ' ' SER . 98.3 m-20 -84.15 -23.04 30.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.713 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -103.08 13.63 33.71 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.777 0.322 . . . . 0.0 110.536 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -97.69 116.22 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.092 0.472 . . . . 0.0 110.226 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.557 ' O ' HD12 ' A' ' 77' ' ' LEU . 55.1 ttm-85 -93.93 117.47 30.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.277 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.3 mm -107.3 131.07 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 CA-C-O 121.15 0.5 . . . . 0.0 111.02 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -146.16 130.86 17.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.888 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -130.67 152.91 49.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.25 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -144.13 107.6 4.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.235 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -86.05 136.85 33.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.503 ' O ' ' O ' ' A' ' 72' ' ' MET . 10.5 tp-100 -154.28 151.36 29.03 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' A' ' 72' ' ' MET . 47.3 m-20 -30.63 130.76 0.1 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.723 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 70' ' ' ASP . . . 22.71 38.59 0.01 OUTLIER Glycine 0 CA--C 1.532 1.121 0 O-C-N 123.898 0.749 . . . . 0.0 112.159 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.621 ' N ' ' O ' ' A' ' 70' ' ' ASP . 52.3 tpp -156.05 141.95 18.05 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-O 121.576 0.703 . . . . 0.0 110.539 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -147.17 141.8 26.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.234 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.91 117.36 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.407 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.1 tt -107.01 104.58 14.28 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.054 0.454 . . . . 0.0 110.178 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -88.49 127.37 35.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.126 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 63' ' ' ARG . 61.3 tp -131.81 124.1 28.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.305 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -127.51 123.07 35.03 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.273 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.5 mp -122.37 147.99 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 120.764 0.316 . . . . 0.0 110.276 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -116.84 110.87 18.92 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.609 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 81' ' ' LEU . 11.0 mp -80.44 141.49 52.98 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.926 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo . . . . . 0 N--CA 1.488 1.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.114 179.462 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.239 0.506 0 CA-C-O 121.225 0.536 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 29' ' ' GLU . 15.0 t70 -146.5 164.7 31.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.441 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.436 ' N ' ' CG ' ' B' ' 20' ' ' ASP . 97.9 mtt180 -135.37 153.72 51.73 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.368 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.77 98.22 4.12 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.369 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -95.29 97.51 9.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.82 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 89.1 mt -101.72 109.72 26.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.43 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 21.6 mm -102.25 125.76 56.42 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.984 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 91.6 mt -115.81 133.54 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.364 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.38 110.17 10.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.225 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -102.71 126.43 49.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.694 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 82.1 tt0 -123.71 109.54 13.83 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 49.2 mtm-85 -105.1 139.22 40.09 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.521 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 . . . . . 0 N--CA 1.465 0.321 0 CA-C-O 120.683 0.278 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 8.5 mt -67.5 -48.94 43.51 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.392 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 61.1 Cg_endo -75.31 -13.13 20.88 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 122.366 2.044 . . . . 0.0 111.725 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 93.8 m -76.37 -54.21 7.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.604 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.25 -42.65 88.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.562 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -58.38 -43.57 88.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.706 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -62.49 -47.69 82.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.587 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.506 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -61.55 -36.3 80.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.044 0.45 . . . . 0.0 110.807 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 86.4 mt -71.95 -41.15 68.11 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.129 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 24.5 mmt -66.28 -33.45 75.77 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.663 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -83.61 -42.15 17.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 46' ' ' ALA . 47.7 t -64.73 -48.5 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.184 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' B' ' 55' ' ' VAL . 69.6 mt -61.01 -56.14 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.055 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.6 t -50.64 -27.07 6.19 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -94.68 -69.47 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.932 0.396 . . . . 0.0 111.56 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' B' ' 50' ' ' VAL . 44.8 m-85 -61.76 -26.1 67.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.507 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.487 ' O ' ' O ' ' B' ' 51' ' ' LEU . 30.6 t -119.28 151.78 21.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.23 0.538 . . . . 0.0 110.702 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -96.93 88.09 4.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.494 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 m -145.85 133.15 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.183 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.548 ' C ' ' H ' ' B' ' 60' ' ' ASP . 15.7 t -85.93 143.56 28.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.259 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 64.0 mt -52.66 -5.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.872 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASP . . . . . 0.548 ' H ' ' C ' ' B' ' 58' ' ' SER . 93.4 m-20 -83.96 -22.99 31.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.668 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -102.85 13.66 33.85 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.644 0.259 . . . . 0.0 110.479 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.37 116.41 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.3 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.524 ' O ' HD12 ' B' ' 77' ' ' LEU . 55.7 ttm-85 -93.91 118.3 31.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.268 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 mm -108.15 130.94 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -146.19 129.8 16.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.887 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -129.24 153.0 48.21 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.102 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -144.2 108.01 4.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.389 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -87.65 134.79 33.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.417 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.494 ' O ' ' O ' ' B' ' 70' ' ' ASP . 10.6 tp-100 -156.21 116.13 3.61 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' B' ' 72' ' ' MET . 78.6 m-20 27.54 -148.46 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 O-C-N 124.08 0.863 . . . . 0.0 110.633 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.85 42.22 0.2 Allowed Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.521 ' N ' ' O ' ' B' ' 70' ' ' ASP . 37.0 ttm -148.89 151.01 33.93 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-O 121.001 0.429 . . . . 0.0 110.667 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -152.51 141.64 21.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.166 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.87 118.26 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.295 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.412 HD23 ' C ' ' B' ' 75' ' ' LEU . 4.2 tt -108.22 104.92 14.42 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.027 0.441 . . . . 0.0 110.247 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -88.29 128.81 35.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.202 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.524 HD12 ' O ' ' B' ' 63' ' ' ARG . 56.0 tp -132.62 122.38 24.62 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.402 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -125.86 123.93 39.75 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.298 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.3 mp -123.41 147.59 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.776 0.322 . . . . 0.0 110.362 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -116.17 109.38 17.38 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.422 HD12 ' N ' ' B' ' 81' ' ' LEU . 11.1 mp -79.73 140.03 54.69 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.12 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo . . . . . 0 N--CA 1.489 1.259 0 C-N-CA 122.726 2.284 . . . . 0.0 111.974 178.905 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 4.0 mtp180 . . . . . 0 C--O 1.234 0.272 0 CA-C-O 121.372 0.606 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 19' ' ' ARG . 4.3 m-20 -139.64 167.01 23.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.464 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.503 ' NE ' ' OE2' ' B' ' 29' ' ' GLU . 60.0 ttp180 -137.33 156.01 48.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.598 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.27 107.57 6.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.571 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -101.43 101.29 11.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.323 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.0 mt -97.64 114.87 36.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.194 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.4 mt -111.6 124.12 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.161 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 89.5 mt -117.14 127.5 74.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.238 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.7 103.41 8.86 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.115 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -102.48 126.93 49.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.221 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.485 ' OE2' ' NE ' ' B' ' 21' ' ' ARG . 7.4 pt-20 -121.98 115.72 23.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.271 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.475 ' NH2' ' CD2' ' A' ' 39' ' ' TYR . 93.0 mtt180 -108.83 117.69 34.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.31 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.335 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.491 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.475 ' CD2' ' NH2' ' A' ' 30' ' ' ARG . 47.1 m-85 . . . . . 0 N--CA 1.465 0.278 0 CA-C-O 120.646 0.26 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.564 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -61.06 -46.52 96.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 7.7 Cg_exo -72.06 -14.96 29.19 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.933 2.422 . . . . 0.0 111.674 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.6 m -78.22 -55.22 5.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.32 -43.86 93.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.742 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -60.17 -43.23 96.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.801 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -62.75 -49.02 76.67 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.988 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.666 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -58.15 -31.42 67.2 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.793 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.0 mt -75.49 -40.59 57.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.854 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.7 mmt -68.86 -39.15 80.03 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.499 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -61.92 -53.66 52.6 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.245 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.766 HG23 ' H ' ' A' ' 51' ' ' LEU . 16.4 m -62.49 -62.13 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.453 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.766 ' H ' HG23 ' A' ' 50' ' ' VAL . 71.4 mt -43.9 -24.3 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.705 0.288 . . . . 0.0 111.049 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.0 t -76.12 -44.05 40.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.268 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -105.7 -47.36 3.92 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.923 0.392 . . . . 0.0 111.135 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.3 m-85 -57.37 -43.73 83.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.775 -178.209 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.547 HG12 ' N ' ' A' ' 56' ' ' ASN . 47.3 t -111.42 161.71 9.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.38 . . . . 0.0 110.282 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.547 ' N ' HG12 ' A' ' 55' ' ' VAL . 74.0 m-20 -94.56 70.67 3.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.724 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.22 129.68 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.251 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.549 ' C ' ' H ' ' A' ' 60' ' ' ASP . 47.9 t -83.67 146.21 28.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.176 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.2 mm? -54.59 -2.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.765 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.549 ' H ' ' C ' ' A' ' 58' ' ' SER . 96.5 m-20 -86.01 -20.75 28.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.619 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -104.76 15.88 27.05 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.633 0.254 . . . . 0.0 110.714 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -92.88 117.82 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 110.52 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.514 ' O ' HD12 ' A' ' 77' ' ' LEU . 60.7 ttm-85 -93.46 98.03 10.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.785 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 tp -97.94 132.63 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.004 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 t -153.67 95.34 1.88 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.127 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.469 ' CD ' ' N ' ' A' ' 67' ' ' GLU . 1.0 OUTLIER -87.03 151.6 23.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.493 -179.798 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 66' ' ' GLN . 80.0 mt-10 -155.65 131.27 9.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.591 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -142.55 151.44 41.59 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -168.63 138.69 2.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.601 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' A' ' 71' ' ' GLY . 63.6 t0 56.91 -123.26 1.72 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.319 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.457 ' H ' ' CG ' ' A' ' 70' ' ' ASP . . . -110.82 5.08 29.15 Favored Glycine 0 N--CA 1.465 0.608 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.5 ttm -112.33 123.86 51.2 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.886 0.374 . . . . 0.0 110.396 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.61 143.93 44.63 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.285 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 m -138.15 159.52 32.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 121.018 0.437 . . . . 0.0 110.149 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.87 131.22 28.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.598 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -113.34 115.5 28.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.987 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 63' ' ' ARG . 42.7 tp -132.71 122.42 24.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.426 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.452 HD22 ' HD2' ' A' ' 21' ' ' ARG . 26.6 t-20 -126.02 123.1 37.69 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.879 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.0 mp -118.15 141.51 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.902 0.382 . . . . 0.0 110.09 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.5 m -110.62 109.1 19.26 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.962 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.2 mp -77.46 133.45 67.49 Favored Pre-proline 0 C--O 1.237 0.424 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.585 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo . . . . . 0 N--CA 1.492 1.384 0 C-N-CA 122.531 2.154 . . . . 0.0 112.186 179.721 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.44 ' O ' ' OD1' ' B' ' 20' ' ' ASP . 4.1 mtp180 . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 121.379 0.609 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' B' ' 19' ' ' ARG . 4.1 m-20 -139.94 165.82 26.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.286 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.485 ' NE ' ' OE2' ' A' ' 29' ' ' GLU . 60.0 ttp180 -135.52 156.95 48.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.617 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.98 108.77 6.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.513 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -102.9 101.68 11.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.383 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 72.4 mt -97.93 115.13 37.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.241 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 91.5 mt -111.67 123.99 68.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.074 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.4 mt -117.36 127.32 74.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.195 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.46 103.46 8.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.158 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -102.73 125.58 49.52 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.2 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.503 ' OE2' ' NE ' ' A' ' 21' ' ' ARG . 7.5 pt-20 -120.42 116.49 25.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.285 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.492 ' NH2' ' CD2' ' B' ' 39' ' ' TYR . 94.6 mtt180 -109.63 117.49 34.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.323 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.775 179.541 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.492 ' CD2' ' NH2' ' B' ' 30' ' ' ARG . 46.0 m-85 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.771 0.32 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.564 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 0.6 OUTLIER -61.1 -46.59 96.19 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 7.5 Cg_exo -71.77 -15.05 30.09 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.933 2.422 . . . . 0.0 111.786 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 92.9 m -78.52 -55.82 4.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.146 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.78 -44.08 94.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.605 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -60.0 -43.32 95.29 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.734 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -62.43 -49.62 74.75 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.991 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.678 ' O ' HG22 ' B' ' 50' ' ' VAL . . . -57.58 -31.44 66.17 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.695 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.2 mt -75.49 -40.43 57.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.967 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 22.5 mmt -68.96 -39.24 79.62 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.505 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -61.97 -53.54 54.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.232 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.768 HG23 ' H ' ' B' ' 51' ' ' LEU . 16.4 m -62.63 -62.41 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.539 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.768 ' H ' HG23 ' B' ' 50' ' ' VAL . 71.3 mt -43.67 -24.73 0.13 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.73 0.3 . . . . 0.0 111.064 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.1 t -75.59 -44.04 45.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.369 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -105.86 -47.59 3.84 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.977 0.418 . . . . 0.0 111.165 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' B' ' 50' ' ' VAL . 3.2 m-85 -57.03 -43.67 82.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.782 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.538 HG12 ' N ' ' B' ' 56' ' ' ASN . 45.4 t -111.62 161.54 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.007 0.432 . . . . 0.0 110.29 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ASN . . . . . 0.538 ' N ' HG12 ' B' ' 55' ' ' VAL . 73.6 m-20 -94.37 70.31 3.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.824 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -136.72 129.76 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.175 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.546 ' C ' ' H ' ' B' ' 60' ' ' ASP . 46.7 t -83.62 146.24 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.069 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.509 HD22 ' N ' ' B' ' 59' ' ' LEU . 4.3 mm? -54.54 -3.04 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.41 0.444 . . . . 0.0 110.649 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASP . . . . . 0.546 ' H ' ' C ' ' B' ' 58' ' ' SER . 96.2 m-20 -85.55 -20.6 29.35 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -104.81 15.99 26.83 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.742 0.306 . . . . 0.0 110.749 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -93.03 117.69 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.467 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.506 ' O ' HD12 ' B' ' 77' ' ' LEU . 60.2 ttm-85 -93.21 97.13 10.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.913 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 tp -97.0 132.18 42.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.103 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.4 t -153.72 95.24 1.86 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.706 -0.398 . . . . 0.0 109.969 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.461 HE21 ' HB3' ' B' ' 66' ' ' GLN . 0.9 OUTLIER -87.16 151.87 22.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.638 -179.696 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' B' ' 66' ' ' GLN . 79.4 mt-10 -155.68 131.11 9.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.617 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -142.39 151.06 41.47 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -168.45 139.01 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.584 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.433 ' CG ' ' H ' ' B' ' 71' ' ' GLY . 57.9 t0 56.54 -123.57 1.8 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.433 ' H ' ' CG ' ' B' ' 70' ' ' ASP . . . -110.67 6.07 29.6 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 39.7 ttm -113.43 124.19 51.85 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.935 0.398 . . . . 0.0 110.313 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -115.99 143.41 45.49 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.277 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.1 m -137.73 159.26 34.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 110.02 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.15 131.53 30.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.502 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -113.63 113.95 25.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.126 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.506 HD12 ' O ' ' B' ' 63' ' ' ARG . 42.7 tp -131.34 122.89 27.15 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.537 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ASN . . . . . 0.434 HD22 ' HD2' ' B' ' 21' ' ' ARG . 25.1 t-20 -126.36 122.89 36.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.944 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 1.9 mp -117.77 141.83 34.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 120.781 0.324 . . . . 0.0 110.387 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 88.6 m -110.67 109.62 19.97 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.563 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.4 mp -78.08 133.09 65.51 Favored Pre-proline 0 C--O 1.237 0.439 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.667 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo . . . . . 0 N--CA 1.491 1.365 0 C-N-CA 122.65 2.234 . . . . 0.0 112.216 179.633 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.886 0.374 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -117.79 148.1 42.38 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.995 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -134.85 151.37 50.86 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.104 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.7 tp -141.81 116.63 9.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.464 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -116.16 102.82 9.94 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.684 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.3 mt -98.44 113.1 32.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.5 mt -103.8 119.99 53.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.774 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 81.6 mt -108.3 127.43 64.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.027 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.66 123.19 41.31 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.025 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -121.68 125.27 46.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.893 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -123.13 112.4 17.68 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -103.04 128.99 49.67 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.171 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.39 179.906 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 N--CA 1.466 0.339 0 CA-C-O 120.86 0.362 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.622 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 13.3 mt -72.71 -39.38 5.66 Favored Pre-proline 0 C--O 1.235 0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.28 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 57.5 Cg_endo -82.77 -19.41 6.06 Favored 'Trans proline' 0 N--CA 1.488 1.172 0 C-N-CA 122.333 2.022 . . . . 0.0 111.895 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.9 m -75.64 -51.26 13.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.065 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.58 -44.3 74.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.423 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.711 ' CG ' HH11 ' A' ' 44' ' ' ARG . 0.0 OUTLIER -57.15 -41.84 79.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.947 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.39 -51.59 68.14 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.045 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' HG12 ' A' ' 50' ' ' VAL . . . -63.98 -29.89 71.01 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.895 0.379 . . . . 0.0 111.009 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.58 -36.91 76.71 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.9 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.472 ' HG3' ' NH1' ' A' ' 44' ' ' ARG . 17.7 mmt -76.64 -29.68 56.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.463 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -81.17 -42.55 20.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.361 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.574 HG13 ' N ' ' A' ' 51' ' ' LEU . 14.5 p -64.72 -46.7 91.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.555 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.574 ' N ' HG13 ' A' ' 50' ' ' VAL . 3.7 mp -60.55 -56.02 26.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.041 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -50.99 -28.21 9.41 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.706 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -95.47 -73.12 0.6 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.909 0.385 . . . . 0.0 111.731 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 50' ' ' VAL . 32.7 m-85 -57.1 -27.1 61.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' A' ' 51' ' ' LEU . 20.6 t -120.15 159.69 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.021 0.439 . . . . 0.0 110.429 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.446 ' N ' HG12 ' A' ' 55' ' ' VAL . 63.2 t30 -99.41 76.35 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.345 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 m -138.8 132.84 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.17 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.3 t -91.84 142.8 27.17 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 59' ' ' LEU . 10.9 mp -46.74 -14.8 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.352 0.408 . . . . 0.0 110.323 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 61' ' ' ASN . 55.3 p-10 -74.35 -27.42 60.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.585 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.54 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 94.2 m-20 -94.46 16.63 14.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.528 HD12 ' N ' ' A' ' 62' ' ' ILE . 1.5 mp -95.25 160.84 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.466 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 73.5 ttt180 -138.81 97.29 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.002 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.9 mm -83.81 126.07 40.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.501 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -142.92 94.59 2.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.84 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -91.81 145.09 24.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.428 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -149.92 102.76 3.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.088 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -107.21 156.4 18.88 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -165.39 118.8 1.2 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.459 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 48.79 -132.78 1.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.495 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.8 -4.56 88.72 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.501 ' SD ' ' N ' ' A' ' 73' ' ' ASP . 2.5 tpt -101.72 126.05 48.5 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.992 0.425 . . . . 0.0 110.114 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.501 ' N ' ' SD ' ' A' ' 72' ' ' MET . 96.7 m-20 -128.93 143.75 50.98 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.349 179.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -147.14 127.21 4.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.8 tt -108.45 115.62 30.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.102 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -93.41 120.28 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.213 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 tp -125.09 124.16 41.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.466 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -123.74 128.37 49.49 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.389 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.5 mp -128.85 147.39 33.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.947 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.1 m -115.55 110.8 19.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.8 mp -77.97 145.57 70.08 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 N--CA 1.494 1.537 0 C-N-CA 122.673 2.248 . . . . 0.0 112.475 -179.906 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.804 0.335 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -118.35 148.32 42.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.931 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -135.0 152.08 51.4 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.084 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 16.4 tp -142.77 116.18 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.462 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -115.64 103.21 10.47 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.677 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 89.8 mt -98.67 113.04 32.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.372 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 71.2 mt -103.85 119.35 52.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.788 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 80.6 mt -107.81 127.15 64.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.097 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.32 124.09 43.75 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.934 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -122.6 124.88 44.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.887 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -122.59 112.9 18.55 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.844 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -103.41 128.49 50.52 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.263 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.41 179.847 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 120.914 0.388 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.608 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 13.2 mt -72.85 -39.41 5.46 Favored Pre-proline 0 C--O 1.236 0.385 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.386 178.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 59.0 Cg_endo -82.52 -19.05 6.58 Favored 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.309 2.006 . . . . 0.0 111.97 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -75.83 -51.56 12.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.103 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 70.5 mt -68.78 -45.29 71.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.604 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.595 HH11 ' HG2' ' B' ' 44' ' ' ARG . 39.7 ttt-85 -56.33 -42.12 77.16 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.39 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -60.68 -51.76 68.0 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.111 -0.636 . . . . 0.0 111.096 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.556 ' O ' HG12 ' B' ' 50' ' ' VAL . . . -63.85 -29.44 70.63 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.076 0.465 . . . . 0.0 110.769 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 61.5 mt -70.08 -36.54 75.0 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.122 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 18.7 mmt -76.95 -29.7 55.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.276 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -81.54 -42.44 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.637 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.556 HG12 ' O ' ' B' ' 46' ' ' ALA . 13.5 p -64.97 -46.56 91.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.569 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.529 ' N ' HG13 ' B' ' 50' ' ' VAL . 3.9 mp -60.59 -56.01 26.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.062 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -50.76 -28.0 8.33 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.709 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -95.56 -73.37 0.59 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 111.681 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' B' ' 50' ' ' VAL . 32.9 m-85 -56.66 -27.18 58.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.017 -178.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.495 ' O ' ' O ' ' B' ' 51' ' ' LEU . 20.5 t -120.16 159.41 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.116 0.484 . . . . 0.0 110.407 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ASN . . . . . 0.444 ' N ' HG12 ' B' ' 55' ' ' VAL . 63.9 t30 -99.26 75.41 2.0 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.456 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 6.1 m -137.7 132.29 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.261 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.481 ' C ' ' N ' ' B' ' 60' ' ' ASP . 1.3 t -91.58 143.15 26.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.727 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.514 HD12 ' N ' ' B' ' 59' ' ' LEU . 10.9 mp -47.0 -14.64 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.412 0.445 . . . . 0.0 110.344 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' B' ' 61' ' ' ASN . 55.6 p-10 -74.46 -26.96 60.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.496 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' B' ' 60' ' ' ASP . 92.9 m-20 -94.99 16.68 15.58 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.535 ' N ' HD12 ' B' ' 62' ' ' ILE . 1.5 mp -95.38 161.03 2.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.464 ' N ' ' CG2' ' B' ' 62' ' ' ILE . 73.4 ttt180 -139.05 97.41 3.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.076 178.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.506 HG13 HH21 ' B' ' 44' ' ' ARG . 25.1 mm -83.64 126.22 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.463 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -143.11 94.46 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.782 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -91.74 145.11 24.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.404 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -150.18 102.44 3.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.003 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -106.55 157.12 17.91 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.026 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -165.93 119.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.443 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 48.31 -131.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.452 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.73 -3.85 85.66 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.518 ' SD ' ' N ' ' B' ' 73' ' ' ASP . 2.1 tpt -102.25 125.77 49.05 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.99 0.424 . . . . 0.0 110.052 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ASP . . . . . 0.518 ' N ' ' SD ' ' B' ' 72' ' ' MET . 96.7 m-20 -128.38 143.8 51.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.324 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -146.98 127.22 5.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 6.4 tt -108.14 115.81 30.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.009 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -93.6 119.77 33.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.218 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.4 tp -125.06 124.48 42.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.442 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -124.08 128.31 49.12 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.402 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.6 mp -128.85 147.29 33.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.894 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 29.1 m -115.16 111.49 21.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.56 145.7 67.97 Favored Pre-proline 0 C--O 1.236 0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.452 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 N--CA 1.494 1.534 0 C-N-CA 122.713 2.275 . . . . 0.0 112.437 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.401 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 12.4 mpt_? . . . . . 0 C--O 1.235 0.327 0 CA-C-O 121.007 0.432 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 19' ' ' ARG . 89.5 m-20 -134.94 155.97 49.8 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.353 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -130.71 160.71 33.51 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.093 0.473 . . . . 0.0 110.381 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.16 102.34 5.16 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.693 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -96.39 100.65 12.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.724 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 89.5 mt -102.38 108.13 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.59 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.4 mm -102.64 120.13 51.97 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.023 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 89.2 mt -108.72 133.98 52.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.322 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.19 127.3 35.55 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.518 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.473 ' OE1' ' NH2' ' A' ' 30' ' ' ARG . 20.4 tt0 -127.83 138.05 52.58 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.342 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -134.95 129.32 34.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.367 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.473 ' NH2' ' OE1' ' A' ' 28' ' ' GLN . 88.1 mtt-85 -122.22 138.33 54.52 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.966 0.412 . . . . 0.0 110.264 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.368 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 179.879 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 . . . . . 0 N--CA 1.462 0.152 0 CA-C-O 120.835 0.35 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.3 mp -64.57 -58.61 12.93 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.488 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 40.3 Cg_endo -67.46 -14.9 44.0 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.765 2.31 . . . . 0.0 111.883 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.4 m -76.37 -58.33 3.35 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.252 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.26 -45.03 93.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.658 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -53.09 -60.09 3.72 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -44.54 -48.44 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.676 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.86 -35.59 76.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.069 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.5 mt -66.42 -41.82 88.66 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.413 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.436 ' N ' ' SD ' ' A' ' 48' ' ' MET . 19.6 mmm -73.54 -22.31 60.13 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -80.62 -45.94 16.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.761 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 54' ' ' TYR . 33.4 m -67.45 -40.92 85.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.011 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' A' ' 55' ' ' VAL . 3.0 mp -60.36 -62.15 2.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.705 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -53.04 -24.02 8.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.557 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -94.6 -74.55 0.54 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.469 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' A' ' 50' ' ' VAL . 54.8 m-85 -62.27 -25.1 67.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.287 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.497 ' O ' ' O ' ' A' ' 51' ' ' LEU . 11.9 t -118.8 160.61 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.092 0.472 . . . . 0.0 110.839 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.452 ' N ' HG12 ' A' ' 55' ' ' VAL . 33.5 m120 -107.73 90.6 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.274 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 m -144.56 134.73 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.5 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.7 m -82.79 156.08 23.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.4 mm? -62.97 -4.74 2.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.785 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -88.15 -23.03 23.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.568 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -91.29 4.98 50.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.92 0.391 . . . . 0.0 110.476 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -96.64 154.4 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.97 0.415 . . . . 0.0 109.957 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -137.2 110.02 7.61 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 177.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.0 mm -93.8 127.95 45.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.436 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.027 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.33 96.77 2.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.106 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -98.31 153.17 18.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -155.82 102.14 2.17 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 121.267 0.556 . . . . 0.0 110.503 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -84.51 138.97 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.47 ' O ' ' O ' ' A' ' 72' ' ' MET . 42.5 tt0 -135.42 121.47 20.03 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-O 121.028 0.442 . . . . 0.0 110.314 178.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -41.05 105.34 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.5 -37.31 3.09 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.47 ' O ' ' O ' ' A' ' 69' ' ' GLN . 0.7 OUTLIER -147.06 174.02 11.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 0.0 110.524 -179.408 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -145.64 146.91 31.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.367 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.59 164.15 34.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.228 0.537 . . . . 0.0 110.256 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 tp -151.45 108.58 3.56 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.844 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -87.65 117.17 26.28 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.151 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.0 tp -126.0 126.35 44.16 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.53 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -128.64 134.66 48.6 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.854 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.7 mp -132.07 151.45 35.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 CA-C-O 120.87 0.367 . . . . 0.0 110.134 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.3 m -114.95 112.77 23.2 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.103 0.478 . . . . 0.0 110.143 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mt -85.99 136.04 36.72 Favored Pre-proline 0 C--O 1.246 0.874 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.694 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 C--N 1.315 -1.216 0 C-N-CA 122.742 2.295 . . . . 0.0 112.143 179.439 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? . . . . . 0 C--O 1.236 0.386 0 CA-C-O 120.971 0.415 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -135.22 156.14 49.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.352 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -131.13 160.23 35.33 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.118 0.485 . . . . 0.0 110.42 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.02 102.33 5.18 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.573 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -96.45 100.52 12.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.758 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 87.8 mt -102.18 108.09 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.7 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 20.0 mm -102.36 119.7 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.973 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 91.5 mt -108.37 133.29 53.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.427 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.53 129.0 40.48 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.35 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.458 ' OE1' ' NH2' ' B' ' 30' ' ' ARG . 19.4 tt0 -129.98 137.36 50.26 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.326 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -134.42 129.81 35.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.355 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.458 ' NH2' ' OE1' ' B' ' 28' ' ' GLN . 87.1 mtt-85 -122.21 139.5 53.69 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.394 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.246 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.798 0.332 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 2.5 mp -69.39 -57.52 6.99 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.624 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 43.0 Cg_endo -68.68 -13.8 37.91 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.803 2.335 . . . . 0.0 111.796 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.8 m -76.15 -57.89 3.6 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.59 -45.91 88.23 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.763 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -51.46 -60.73 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.71 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -44.45 -48.87 10.01 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.841 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.56 75.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.166 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.89 -41.66 86.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.375 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 23.0 mmm -73.22 -22.38 60.44 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -80.78 -45.7 16.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.875 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' B' ' 54' ' ' TYR . 34.0 m -67.46 -41.15 85.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.037 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.508 ' O ' ' O ' ' B' ' 55' ' ' VAL . 2.9 mp -60.39 -61.97 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.788 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.1 t -53.16 -24.14 9.99 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.706 -0.397 . . . . 0.0 110.528 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -94.47 -74.39 0.54 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.482 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.503 ' N ' ' O ' ' B' ' 50' ' ' VAL . 53.1 m-85 -62.29 -25.35 67.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.241 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' B' ' 51' ' ' LEU . 13.2 t -118.84 160.74 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.23 0.538 . . . . 0.0 110.745 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ASN . . . . . 0.457 ' N ' HG12 ' B' ' 55' ' ' VAL . 33.1 m120 -107.67 90.65 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.401 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 m -144.54 134.62 19.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.46 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.403 ' C ' ' H ' ' B' ' 60' ' ' ASP . 72.3 m -83.12 155.35 23.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.581 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' B' ' 59' ' ' LEU . 4.5 mm? -63.02 -3.16 1.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' B' ' 58' ' ' SER . 98.1 m-20 -89.27 -22.95 22.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.616 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -91.71 4.35 52.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.584 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.467 ' CG2' ' CD1' ' B' ' 64' ' ' ILE . 1.7 mp -94.81 156.28 3.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.111 0.481 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.422 ' N ' ' CG2' ' B' ' 62' ' ' ILE . 34.3 mtp180 -139.36 106.63 5.51 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.254 177.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.467 ' CD1' ' CG2' ' B' ' 62' ' ' ILE . 1.6 mp -93.3 129.16 44.17 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.056 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.83 98.26 3.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.458 177.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -97.38 152.75 18.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.658 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -155.59 102.16 2.21 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.287 0.565 . . . . 0.0 110.428 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -84.72 139.29 32.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.954 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.454 ' O ' ' O ' ' B' ' 72' ' ' MET . 42.8 tt0 -135.89 120.35 18.09 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.295 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -40.17 105.41 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.38 -37.06 3.18 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.454 ' O ' ' O ' ' B' ' 69' ' ' GLN . 0.8 OUTLIER -147.82 172.94 13.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.915 0.388 . . . . 0.0 110.581 -179.472 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.51 146.6 32.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.457 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 m -133.97 164.38 34.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.237 0.541 . . . . 0.0 110.305 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 tp -151.73 108.29 3.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.791 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -87.34 116.89 25.74 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.371 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 14.8 tp -125.22 127.89 47.46 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.451 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -130.19 134.63 47.42 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.642 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 3.8 mp -132.11 151.83 35.67 Favored 'Isoleucine or valine' 0 C--N 1.34 0.185 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 13.8 m -115.7 111.35 20.46 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.206 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 mt -84.91 135.92 39.34 Favored Pre-proline 0 C--O 1.243 0.743 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.669 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo . . . . . 0 C--N 1.314 -1.26 0 C-N-CA 122.646 2.231 . . . . 0.0 112.152 179.448 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.236 0.376 0 CA-C-O 121.073 0.463 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 21' ' ' ARG . 42.1 t0 -139.75 138.2 35.71 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.179 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.496 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 97.2 mtt180 -120.22 156.93 30.17 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.346 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.5 mt -133.32 109.49 9.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.604 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.517 HE21 HD11 ' A' ' 25' ' ' ILE . 59.0 tt0 -101.61 94.78 6.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.764 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.6 mt -99.91 112.92 33.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.023 0.439 . . . . 0.0 111.021 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.517 HD11 HE21 ' A' ' 23' ' ' GLN . 90.2 mt -109.39 125.24 66.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.779 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.5 mt -114.09 135.61 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.693 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.17 93.97 3.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.899 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.419 HE21 ' HB2' ' A' ' 73' ' ' ASP . 14.0 pt20 -96.45 141.17 30.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.556 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -128.48 109.11 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -104.82 139.16 39.99 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.171 179.421 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 . . . . . 0 N--CA 1.466 0.367 0 CA-C-O 120.736 0.303 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 3.3 mp -67.29 -42.81 41.18 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.554 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 26.8 Cg_exo -62.58 -24.46 75.15 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.638 2.225 . . . . 0.0 111.884 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.2 m -77.77 -55.16 5.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.9 mt -65.45 -44.08 88.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -59.4 -45.22 92.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.834 0.35 . . . . 0.0 110.717 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -61.61 -47.94 83.17 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.449 -0.501 . . . . 0.0 111.083 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -60.35 -36.35 77.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.946 0.403 . . . . 0.0 110.726 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.9 mt -71.5 -41.89 68.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.235 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.1 mmt -65.29 -34.12 77.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.701 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -81.2 -43.17 19.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.028 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 46' ' ' ALA . 48.3 t -64.55 -48.75 83.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.577 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 55' ' ' VAL . 71.4 mt -59.2 -55.7 31.63 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.2 t -51.84 -28.27 15.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.801 0.334 . . . . 0.0 110.691 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -93.33 -68.75 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.266 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 50' ' ' VAL . 31.9 m-85 -61.78 -24.29 66.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 51' ' ' LEU . 15.2 t -123.6 156.77 30.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.932 0.396 . . . . 0.0 110.495 -179.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -101.34 92.91 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.644 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 m -149.75 136.42 12.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.39 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.487 ' C ' ' H ' ' A' ' 60' ' ' ASP . 43.0 t -87.47 151.04 23.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.511 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.495 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.2 mm? -58.9 -2.93 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.431 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' A' ' 58' ' ' SER . 35.8 t70 -88.65 -26.23 21.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -96.8 13.58 28.1 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.703 0.287 . . . . 0.0 110.432 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 26.5 mm -97.74 116.79 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 CA-C-O 121.188 0.518 . . . . 0.0 111.457 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.453 ' O ' HD12 ' A' ' 77' ' ' LEU . 75.7 ttt180 -96.6 101.77 13.44 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.365 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 tp -94.24 135.68 27.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.047 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -146.88 95.9 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.202 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -91.28 148.46 22.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.672 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -153.21 143.87 22.68 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.484 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -139.68 147.68 41.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.823 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -158.02 94.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.182 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 71' ' ' GLY . 20.7 t0 68.74 -152.68 0.15 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.511 ' H ' ' CG ' ' A' ' 70' ' ' ASP . . . -65.11 4.35 1.8 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.476 ' H ' ' C ' ' A' ' 70' ' ' ASP . 51.3 ttm -112.98 133.12 55.09 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.7 0.286 . . . . 0.0 110.626 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.419 ' HB2' HE21 ' A' ' 28' ' ' GLN . 96.7 m-20 -130.78 148.54 52.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.112 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.5 m -135.03 162.87 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.496 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.4 tp -147.16 107.39 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.457 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -94.65 122.45 37.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.135 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 63' ' ' ARG . 54.7 tp -131.54 126.5 35.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.819 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -123.74 118.78 27.99 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.46 138.32 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.011 0.434 . . . . 0.0 110.165 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.9 m -107.12 107.08 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.758 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.6 mp -81.01 141.39 50.58 Favored Pre-proline 0 C--O 1.242 0.672 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.429 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 N--CA 1.49 1.269 0 C-N-CA 122.792 2.328 . . . . 0.0 112.125 -179.588 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.236 0.363 0 CA-C-O 121.033 0.444 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' B' ' 21' ' ' ARG . 41.9 t0 -139.16 137.53 36.15 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.291 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.509 ' N ' ' OD1' ' B' ' 20' ' ' ASP . 96.8 mtt180 -119.37 157.57 27.9 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.244 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.1 mt -133.85 110.08 9.52 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLN . . . . . 0.459 HE21 HD11 ' B' ' 25' ' ' ILE . 58.8 tt0 -101.93 94.97 6.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.705 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 71.9 mt -100.21 112.35 32.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.006 0.432 . . . . 0.0 111.067 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ILE . . . . . 0.459 HD11 HE21 ' B' ' 23' ' ' GLN . 88.6 mt -109.26 125.03 66.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.797 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 95.2 mt -113.88 136.23 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.712 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.81 93.78 3.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.905 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' B' ' 73' ' ' ASP . 14.0 pt20 -96.45 140.98 30.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.511 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -128.01 109.61 11.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.769 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -105.5 139.92 39.38 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.722 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.268 179.48 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 . . . . . 0 N--CA 1.466 0.368 0 CA-C-O 120.727 0.299 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 3.6 mp -66.95 -43.5 47.73 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.457 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 27.1 Cg_exo -62.22 -24.56 76.24 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.53 2.154 . . . . 0.0 112.116 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 86.9 m -77.49 -53.91 7.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.07 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.0 mt -66.91 -44.06 81.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.418 ' HD2' HD11 ' B' ' 64' ' ' ILE . 58.9 ttp180 -59.54 -44.24 93.29 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.85 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -62.2 -47.93 82.27 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.042 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.498 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -60.74 -36.09 78.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.932 0.396 . . . . 0.0 110.806 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.84 -42.16 67.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.24 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 18.4 mmt -65.33 -33.73 76.66 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.194 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -81.49 -43.61 18.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 46' ' ' ALA . 49.7 t -64.37 -48.69 84.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.525 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' B' ' 55' ' ' VAL . 73.5 mt -59.09 -55.5 34.27 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.54 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 9.2 t -52.03 -28.23 16.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.675 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -93.43 -69.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.225 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' B' ' 50' ' ' VAL . 32.0 m-85 -61.7 -24.23 66.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.468 ' O ' ' O ' ' B' ' 51' ' ' LEU . 14.5 t -123.39 156.65 29.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.913 0.387 . . . . 0.0 110.532 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -101.3 93.26 5.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.595 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 4.2 m -149.83 135.79 11.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.32 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.525 ' C ' ' H ' ' B' ' 60' ' ' ASP . 41.6 t -87.42 147.84 25.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.433 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.483 HD22 ' N ' ' B' ' 59' ' ' LEU . 4.2 mm? -55.76 -2.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.703 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASP . . . . . 0.525 ' H ' ' C ' ' B' ' 58' ' ' SER . 38.7 t70 -88.34 -23.69 23.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.531 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -99.47 11.93 37.79 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.629 0.252 . . . . 0.0 110.593 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.418 HD13 ' O ' ' B' ' 58' ' ' SER . 1.0 OUTLIER -95.54 114.4 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 120.996 0.427 . . . . 0.0 110.459 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.467 ' O ' HD12 ' B' ' 77' ' ' LEU . 74.7 ttt180 -94.67 101.37 13.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.271 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.418 HD11 ' HD2' ' B' ' 44' ' ' ARG . 2.4 tp -93.54 134.99 29.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.5 m -146.23 95.77 2.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.109 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -91.18 148.69 22.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.714 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -153.29 143.87 22.59 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.509 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -139.63 147.19 40.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.685 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -157.57 95.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.261 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.504 ' CG ' ' H ' ' B' ' 71' ' ' GLY . 20.5 t0 67.83 -151.96 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.543 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLY . . . . . 0.504 ' H ' ' CG ' ' B' ' 70' ' ' ASP . . . -65.6 4.42 2.16 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.453 ' H ' ' C ' ' B' ' 70' ' ' ASP . 9.0 tpp -112.9 133.96 54.63 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-O 120.762 0.315 . . . . 0.0 110.708 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ASP . . . . . 0.433 ' HB2' HE21 ' B' ' 28' ' ' GLN . 96.3 m-20 -131.46 146.74 52.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.153 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 m -133.86 161.82 40.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.579 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 43.3 tp -146.61 108.02 4.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.602 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -95.18 123.94 38.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.084 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.467 HD12 ' O ' ' B' ' 63' ' ' ARG . 53.0 tp -133.0 125.61 30.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.799 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -122.56 119.08 29.8 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.867 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.52 138.39 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.023 0.44 . . . . 0.0 110.308 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 91.0 m -107.67 106.87 17.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.782 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 mp -80.92 141.88 51.5 Favored Pre-proline 0 C--O 1.241 0.619 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.322 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 C--N 1.317 -1.122 0 C-N-CA 122.895 2.396 . . . . 0.0 112.179 -179.768 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 mmt-85 . . . . . 0 CA--C 1.517 -0.303 0 CA-C-O 120.667 0.27 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.32 137.53 52.37 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.738 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -134.6 158.2 44.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.541 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.99 110.07 5.62 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.611 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -102.99 102.12 12.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.184 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.8 mt -102.6 112.68 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 120.912 0.387 . . . . 0.0 110.656 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.04 125.24 56.24 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.5 mt -112.0 131.28 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.498 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -127.35 108.62 11.0 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.732 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -103.66 115.95 31.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.684 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -115.0 116.73 28.93 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.658 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -120.57 136.99 54.64 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.049 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.474 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 121.06 0.457 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 2.6 mt -56.55 -61.04 7.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.327 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 20.0 Cg_endo -60.13 -14.6 29.53 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.544 2.163 . . . . 0.0 111.711 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.1 m -73.83 -55.06 6.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.87 -49.98 58.99 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.783 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.518 ' O ' ' SD ' ' A' ' 48' ' ' MET . 70.7 ttp85 -48.96 -56.31 9.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.802 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -50.1 -49.98 49.85 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.718 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -57.42 -36.16 71.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 0.0 110.434 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.52 -41.54 75.88 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.445 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -62.86 -31.37 72.39 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.574 -179.068 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -85.77 -41.4 15.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.198 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 54' ' ' TYR . 55.5 t -65.67 -47.94 84.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.497 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 55' ' ' VAL . 81.9 mt -60.81 -56.47 20.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.054 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.0 t -53.08 -23.54 8.08 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.878 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -96.94 -71.42 0.68 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.522 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 50' ' ' VAL . 46.0 m-85 -61.19 -27.35 68.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.354 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' A' ' 51' ' ' LEU . 19.7 t -116.96 158.79 17.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.009 0.433 . . . . 0.0 110.435 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.443 ' N ' HG12 ' A' ' 55' ' ' VAL . 91.6 m-20 -99.27 72.62 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.597 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.0 m -138.17 133.86 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.412 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.0 p -89.55 166.84 13.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.442 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.77 -15.67 63.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.534 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -82.44 -25.69 33.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -97.88 8.1 45.27 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 120.799 0.333 . . . . 0.0 110.514 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.3 mt -102.52 122.36 54.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.075 0.464 . . . . 0.0 110.518 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -93.32 134.58 35.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.782 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.4 mt -131.34 137.46 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.638 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.423 ' OG ' ' OE2' ' A' ' 67' ' ' GLU . 9.3 t -152.37 128.13 10.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.335 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -115.78 150.85 36.25 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.575 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 55.7 mp0 -144.02 101.35 3.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.374 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -82.0 133.09 35.27 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.215 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.449 ' O ' ' O ' ' A' ' 72' ' ' MET . 39.6 tp60 -165.51 117.76 1.13 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.853 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.547 ' C ' ' H ' ' A' ' 72' ' ' MET . 96.4 m-20 54.38 -170.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.194 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.93 25.08 0.41 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.547 ' H ' ' C ' ' A' ' 70' ' ' ASP . 42.7 ttp -138.61 117.28 12.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.888 0.375 . . . . 0.0 110.058 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -102.33 150.99 22.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.355 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.433 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 60.0 t -133.69 120.05 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.335 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tp -109.13 108.27 18.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.072 0.463 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -85.86 109.74 18.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.866 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 tp -116.26 128.19 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.656 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -133.4 126.26 30.86 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.415 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.8 mp -120.2 143.4 32.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -111.7 107.28 16.32 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.9 mp -78.43 133.83 63.1 Favored Pre-proline 0 C--O 1.242 0.704 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.509 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo . . . . . 0 N--CA 1.487 1.102 0 C-N-CA 122.769 2.313 . . . . 0.0 112.057 -179.862 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 19' ' ' ARG . 2.0 tpt180 . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.559 0.219 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.36 139.4 47.95 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 116.341 -0.391 . . . . 0.0 109.965 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.425 ' HD3' HD22 ' B' ' 78' ' ' ASN . 43.4 ttm180 -136.06 157.59 46.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.559 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.31 111.59 6.53 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.735 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -104.45 101.37 11.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.109 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 83.2 mt -101.85 112.87 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.976 0.417 . . . . 0.0 110.826 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.04 124.75 56.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.772 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 94.8 mt -111.79 131.39 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.485 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -127.25 108.7 11.1 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.782 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -103.6 117.09 33.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.554 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -116.42 115.3 25.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 32.1 ptt-85 -118.07 136.08 53.79 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.26 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.496 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 . . . . . 0 N--CA 1.464 0.232 0 CA-C-O 120.971 0.415 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 2.5 mt -57.88 -61.12 7.99 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 21.6 Cg_endo -60.08 -15.2 32.39 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.639 2.226 . . . . 0.0 111.835 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 8.4 m -73.48 -54.85 7.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 mt -68.39 -49.96 56.35 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.694 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.521 ' O ' ' SD ' ' B' ' 48' ' ' MET . 70.6 ttp85 -48.71 -56.44 8.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.718 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -50.0 -50.75 46.12 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.698 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.438 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -56.84 -36.25 69.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.177 0.513 . . . . 0.0 110.504 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.23 -41.75 76.59 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.43 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' B' ' 48' ' ' MET . 0.0 OUTLIER -62.88 -31.2 72.19 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.614 -179.05 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -85.6 -41.72 14.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.175 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' B' ' 54' ' ' TYR . 53.7 t -65.34 -47.88 85.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.415 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' B' ' 55' ' ' VAL . 84.0 mt -61.03 -56.11 24.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.305 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 29.5 t -53.03 -23.52 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.793 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -97.48 -71.1 0.7 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.477 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' B' ' 50' ' ' VAL . 44.6 m-85 -61.16 -27.51 68.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.3 -178.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.448 HG12 ' N ' ' B' ' 56' ' ' ASN . 18.8 t -117.06 159.08 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.961 0.41 . . . . 0.0 110.456 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ASN . . . . . 0.448 ' N ' HG12 ' B' ' 55' ' ' VAL . 91.2 m-20 -99.45 72.46 1.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.601 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 m -138.09 133.88 44.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.378 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 87.5 p -89.75 167.34 12.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.392 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.0 mt -68.12 -15.46 63.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.443 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -82.67 -26.31 32.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -97.27 8.19 45.05 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 120.72 0.295 . . . . 0.0 110.411 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 12.7 mt -102.73 122.29 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.989 0.423 . . . . 0.0 110.59 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -93.48 135.16 35.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.626 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 96.2 mt -131.95 137.53 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.814 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.5 t -152.15 130.9 12.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.28 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -118.53 150.56 39.43 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.474 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' B' ' 67' ' ' GLU . 55.3 mp0 -143.97 102.55 3.91 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.105 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -83.24 131.85 35.08 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.933 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.46 ' O ' ' O ' ' B' ' 72' ' ' MET . 0.2 OUTLIER -161.31 123.1 2.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.206 178.614 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' B' ' 72' ' ' MET . 95.5 m-20 48.54 -166.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.93 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.23 25.71 0.85 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.492 ' H ' ' C ' ' B' ' 70' ' ' ASP . 42.5 ttp -138.7 115.87 11.03 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.877 0.37 . . . . 0.0 110.251 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -100.92 151.79 21.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.432 ' O ' ' OE1' ' B' ' 67' ' ' GLU . 61.2 t -134.38 120.04 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.246 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tp -109.34 108.66 19.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -85.88 110.34 19.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.935 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 tp -116.84 128.59 55.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.569 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ASN . . . . . 0.425 HD22 ' HD3' ' B' ' 21' ' ' ARG . 42.5 t-20 -133.76 127.14 32.13 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 3.8 mp -121.35 143.68 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 1.5 m -111.93 106.92 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.457 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.9 mp -77.89 133.4 65.83 Favored Pre-proline 0 C--O 1.243 0.76 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.394 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo . . . . . 0 N--CA 1.487 1.129 0 C-N-CA 122.664 2.243 . . . . 0.0 112.178 -179.816 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 N--CA 1.468 0.445 0 CA-C-O 121.505 0.669 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.91 164.91 30.52 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.026 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.2 mtm-85 -135.96 155.23 50.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.454 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.99 99.44 4.43 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.301 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -94.85 95.89 8.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.463 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 91.5 mt -96.32 111.39 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.0 mt -113.11 131.94 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.2 mt -126.26 144.7 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.474 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.96 103.07 6.1 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.101 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -95.72 122.47 38.52 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.235 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 17.5 mp0 -117.34 111.6 19.57 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.142 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -105.49 125.6 51.17 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.176 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.128 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 . . . . . 0 N--CA 1.468 0.458 0 CA-C-O 120.786 0.327 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.574 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 6.5 mt -64.97 -49.27 68.85 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 58.2 Cg_endo -72.19 -14.29 28.62 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.345 2.03 . . . . 0.0 112.065 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -77.38 -58.93 3.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.942 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.22 -44.19 89.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.945 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.73 ' HE ' HD12 ' A' ' 64' ' ' ILE . 59.1 ttt-85 -57.97 -53.74 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.13 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -50.53 -45.38 56.77 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.879 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.49 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -63.49 -33.5 75.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.32 -44.1 63.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.945 0.402 . . . . 0.0 111.55 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.8 mtp -66.33 -32.65 74.19 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.655 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -81.76 -43.61 18.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.013 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 46' ' ' ALA . 48.6 t -66.21 -47.33 84.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 O-C-N 123.262 0.351 . . . . 0.0 110.401 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 55' ' ' VAL . 63.5 mt -59.7 -51.39 69.97 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.575 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.6 m -61.32 -23.9 66.06 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.006 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -92.6 -47.87 6.89 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.839 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -84.88 -24.58 28.45 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.995 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 51' ' ' LEU . 41.1 t -122.45 138.63 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 121.061 0.458 . . . . 0.0 110.597 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -75.22 77.06 2.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.862 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.9 132.64 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.363 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.514 ' O ' ' CD1' ' A' ' 62' ' ' ILE . 18.5 p -86.34 139.99 30.46 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.592 ' HA ' HD13 ' A' ' 62' ' ' ILE . 57.9 mt -45.75 -35.03 4.0 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.598 0.561 . . . . 0.0 110.84 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -69.01 -14.76 63.23 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.282 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.633 ' C ' HD12 ' A' ' 62' ' ' ILE . 9.2 m120 -99.89 20.27 14.59 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.711 0.291 . . . . 0.0 110.951 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.634 HD12 ' N ' ' A' ' 62' ' ' ILE . 2.3 mp -115.51 130.26 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.07 0.462 . . . . 0.0 110.583 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -87.14 113.44 22.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.016 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.73 HD12 ' HE ' ' A' ' 44' ' ' ARG . 42.2 mm -94.38 122.37 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.956 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -145.04 95.2 2.65 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.698 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -97.93 154.91 17.34 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.731 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -146.15 101.39 3.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.154 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -93.08 143.86 25.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.772 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 72' ' ' MET . 1.6 tp-100 -150.37 160.77 43.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.384 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 72' ' ' MET . 37.7 t70 -65.5 121.82 15.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.98 -34.91 0.62 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.483 ' H ' ' C ' ' A' ' 70' ' ' ASP . 54.0 tpp -108.55 146.39 33.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.414 . . . . 0.0 110.453 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 72' ' ' MET . 87.8 m-20 -145.55 137.34 25.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.095 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 75' ' ' LEU . 53.7 t -131.29 157.37 43.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.908 0.385 . . . . 0.0 110.02 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.469 ' N ' HG12 ' A' ' 74' ' ' VAL . 47.4 tp -139.83 115.37 10.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.566 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -103.41 108.41 19.65 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.929 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.521 HD11 ' CG2' ' A' ' 62' ' ' ILE . 38.5 tp -122.83 123.53 41.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.311 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -128.18 121.01 28.44 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.208 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.7 143.94 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.719 0.295 . . . . 0.0 110.582 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 79.1 m -109.79 116.33 31.48 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.884 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.5 mp -81.87 131.08 58.24 Favored Pre-proline 0 C--O 1.24 0.604 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.716 -178.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 N--CA 1.491 1.341 0 C-N-CA 122.766 2.311 . . . . 0.0 112.37 179.911 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? . . . . . 0 C--O 1.24 0.556 0 CA-C-O 121.421 0.629 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.51 164.79 30.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.066 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 84.7 mtm-85 -136.1 155.68 49.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.504 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.55 99.49 4.36 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.422 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -94.74 95.59 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.416 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 91.4 mt -95.99 111.1 25.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.345 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 94.6 mt -112.78 132.17 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.02 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 72.0 mt -126.66 144.85 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.411 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.09 103.36 6.23 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.243 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -96.07 121.77 38.19 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.223 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' B' ' 29' ' ' GLU . 20.8 mp0 -117.07 111.74 19.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.034 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 ttp85 -105.15 126.05 51.65 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.19 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.163 179.893 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 N--CA 1.467 0.417 0 CA-C-O 120.807 0.337 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.561 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 6.6 mt -66.2 -49.0 57.3 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.6 179.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 58.8 Cg_endo -72.9 -14.07 26.54 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.359 2.04 . . . . 0.0 112.066 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 86.5 m -77.48 -59.31 2.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.76 -44.48 89.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.832 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.725 ' HE ' HD12 ' B' ' 64' ' ' ILE . 59.3 ttt-85 -57.13 -56.59 19.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -47.83 -45.42 29.84 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.939 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.483 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -63.44 -33.84 76.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.776 0.322 . . . . 0.0 110.757 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' B' ' 47' ' ' LEU . 88.2 mt -72.46 -44.46 62.31 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.024 0.44 . . . . 0.0 111.561 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' MET . . . . . 0.495 ' CE ' HG21 ' B' ' 62' ' ' ILE . 89.8 mmm -65.71 -32.73 74.44 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.586 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -82.27 -42.98 18.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.03 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 46' ' ' ALA . 44.1 t -66.37 -47.26 84.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.367 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' B' ' 55' ' ' VAL . 62.3 mt -59.88 -51.91 67.71 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.735 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 38.2 m -59.48 -25.32 64.32 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.337 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -92.45 -49.77 5.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.728 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -81.49 -25.33 36.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.32 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' B' ' 51' ' ' LEU . 40.9 t -122.42 137.74 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.068 0.461 . . . . 0.0 110.717 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -74.6 77.33 2.0 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.893 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -140.33 132.25 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.311 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.514 ' O ' ' CD1' ' B' ' 62' ' ' ILE . 18.5 p -85.93 139.96 30.77 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.591 ' HA ' HD13 ' B' ' 62' ' ' ILE . 57.5 mt -45.79 -34.92 4.0 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.646 0.591 . . . . 0.0 110.944 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -68.89 -15.01 63.38 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.336 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASN . . . . . 0.642 ' C ' HD12 ' B' ' 62' ' ' ILE . 9.3 m120 -99.51 19.58 15.44 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.6 0.238 . . . . 0.0 110.897 -179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.642 HD12 ' C ' ' B' ' 61' ' ' ASN . 2.2 mp -114.9 130.18 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.056 0.455 . . . . 0.0 110.569 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -87.0 113.48 22.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.102 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.725 HD12 ' HE ' ' B' ' 44' ' ' ARG . 42.5 mm -94.55 122.1 45.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.078 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.5 m -144.87 95.22 2.66 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.651 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -97.89 154.85 17.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.698 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -145.88 101.65 3.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.213 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -93.55 142.77 26.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.836 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' B' ' 72' ' ' MET . 1.6 tp-100 -148.51 161.4 41.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.399 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.495 ' C ' ' H ' ' B' ' 72' ' ' MET . 36.9 t70 -66.46 122.8 18.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.59 -33.87 0.58 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.495 ' H ' ' C ' ' B' ' 70' ' ' ASP . 31.4 ttm -110.85 148.01 33.32 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.956 0.408 . . . . 0.0 110.764 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 72' ' ' MET . 85.4 m-20 -146.19 139.42 25.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.199 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 74' ' ' VAL . . . . . 0.472 HG12 ' N ' ' B' ' 75' ' ' LEU . 53.3 t -132.76 157.58 43.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.992 0.425 . . . . 0.0 109.973 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.472 ' N ' HG12 ' B' ' 74' ' ' VAL . 47.4 tp -140.0 115.63 10.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.56 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -103.79 107.31 18.13 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.963 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.536 HD11 ' CG2' ' B' ' 62' ' ' ILE . 39.0 tp -121.73 123.97 43.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.196 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -128.86 121.06 27.4 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.143 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.7 144.47 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 120.744 0.307 . . . . 0.0 110.501 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 88.3 m -110.3 116.44 31.47 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.846 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.637 HD12 ' N ' ' B' ' 81' ' ' LEU . 9.4 mp -81.97 131.02 58.13 Favored Pre-proline 0 C--O 1.241 0.61 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.667 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 N--CA 1.492 1.427 0 C-N-CA 122.849 2.366 . . . . 0.0 112.49 179.953 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.364 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.568 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 7.1 p-10 -131.77 145.25 51.49 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.129 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.645 ' O ' HD12 ' A' ' 22' ' ' LEU . 77.9 mtp85 -124.67 158.06 34.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.087 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.645 HD12 ' O ' ' A' ' 21' ' ' ARG . 4.0 mp -127.83 123.98 36.46 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.346 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -119.56 96.29 5.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.31 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 94.9 mt -101.1 106.83 20.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.9 mt -103.1 126.5 57.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 86.6 mt -119.48 143.28 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.418 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -139.49 107.28 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.094 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -100.01 132.17 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.66 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.31 109.24 13.11 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.545 HH22 ' CG ' ' A' ' 73' ' ' ASP . 63.3 mtm-85 -110.37 137.96 47.39 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.985 0.421 . . . . 0.0 110.522 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.59 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.241 179.603 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.236 0.377 0 CA-C-O 121.005 0.431 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.601 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -67.57 -44.05 43.07 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.531 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 23.9 Cg_exo -66.08 -14.21 43.37 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.762 2.308 . . . . 0.0 111.563 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.7 m -83.2 -49.38 9.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.826 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.06 -43.84 90.97 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.747 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.446 ' O ' ' SD ' ' A' ' 48' ' ' MET . 60.1 ttp180 -60.89 -51.69 68.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -54.84 -46.97 74.71 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.592 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.25 -37.67 72.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.675 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.33 -42.13 72.31 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.937 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.598 ' N ' ' SD ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -61.62 -32.76 72.91 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 120.93 0.395 . . . . 0.0 110.885 -179.389 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -84.1 -41.44 17.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.339 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.15 -48.28 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.176 0.512 . . . . 0.0 110.93 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.545 HD13 HG21 ' A' ' 55' ' ' VAL . 3.3 mm? -60.65 -54.29 47.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.22 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.0 m -56.55 -24.29 46.04 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.131 -0.627 . . . . 0.0 110.887 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -93.26 -76.02 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.845 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -58.59 -25.44 62.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.397 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.545 HG21 HD13 ' A' ' 51' ' ' LEU . 18.7 t -118.2 149.11 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.254 0.55 . . . . 0.0 110.715 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -93.23 87.17 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.285 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 m -141.41 131.59 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.397 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.59 ' C ' ' H ' ' A' ' 60' ' ' ASP . 34.5 t -80.7 142.33 34.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.204 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mt -54.24 -0.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.234 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.59 ' H ' ' C ' ' A' ' 58' ' ' SER . 34.5 t70 -88.71 -20.79 24.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.528 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -101.68 14.16 32.78 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.708 0.289 . . . . 0.0 110.574 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.463 HD12 ' N ' ' A' ' 62' ' ' ILE . 1.6 mp -93.47 109.9 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 0.0 110.597 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.434 ' O ' HD12 ' A' ' 77' ' ' LEU . 43.0 ttm180 -95.52 123.44 39.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.89 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 95.9 mt -122.97 139.67 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.6 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t -153.86 95.77 1.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.145 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -86.67 153.2 21.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -147.93 146.69 29.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -138.96 137.2 36.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.73 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.36 127.95 0.12 Allowed 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.663 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 72' ' ' MET . 22.9 t0 54.92 58.31 4.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.674 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 44.67 17.52 0.09 OUTLIER Glycine 0 C--O 1.239 0.409 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' ASP . 32.1 ttm -116.63 99.75 7.35 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.926 0.394 . . . . 0.0 110.466 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.545 ' CG ' HH22 ' A' ' 30' ' ' ARG . 93.1 m-20 -91.0 140.36 29.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.462 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -132.6 118.54 35.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.516 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.438 ' HB2' HD21 ' A' ' 40' ' ' LEU . 6.1 tp -106.22 104.47 14.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.747 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -89.28 120.19 30.43 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.793 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.545 HD23 HD11 ' A' ' 79' ' ' ILE . 6.7 tp -126.43 130.24 50.3 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.749 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.452 HD22 ' N ' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -132.33 124.08 28.09 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.202 179.257 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.6 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.8 mp -123.95 151.14 28.69 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.307 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.1 m -113.55 115.42 27.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.721 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.461 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 10.0 mp -85.53 117.82 69.49 Favored Pre-proline 0 C--O 1.246 0.895 0 O-C-N 123.448 0.468 . . . . 0.0 110.576 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo . . . . . 0 C--N 1.318 -1.029 0 C-N-CA 122.667 2.245 . . . . 0.0 111.841 178.853 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.386 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.567 ' N ' ' OD1' ' B' ' 20' ' ' ASP . 7.2 p-10 -131.5 145.06 51.57 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.021 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.626 ' O ' HD12 ' B' ' 22' ' ' LEU . 78.4 mtp85 -124.72 157.26 36.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.051 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.626 HD12 ' O ' ' B' ' 21' ' ' ARG . 4.2 mp -127.01 124.47 39.46 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.456 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -119.86 95.5 4.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.238 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 95.4 mt -100.5 107.03 20.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.976 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.2 mt -103.21 127.72 56.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.693 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 85.2 mt -121.1 141.72 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.424 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -138.09 107.56 6.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.078 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -100.26 131.35 46.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.9 109.6 14.36 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.551 HH22 ' CG ' ' B' ' 73' ' ' ASP . 64.3 mtm-85 -111.16 137.39 48.91 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.069 0.462 . . . . 0.0 110.346 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.469 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.308 179.61 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.238 0.485 0 CA-C-O 121.114 0.483 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.596 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 0.5 OUTLIER -66.52 -44.33 55.27 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.549 -179.819 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 24.7 Cg_exo -65.27 -15.01 48.06 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.686 2.257 . . . . 0.0 111.716 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 33.5 m -81.95 -49.32 10.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.02 -43.63 91.8 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.777 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.484 ' O ' ' SD ' ' B' ' 48' ' ' MET . 60.3 ttp180 -61.04 -51.1 70.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -55.45 -46.74 76.73 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.578 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.93 73.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.935 0.398 . . . . 0.0 110.577 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 47' ' ' LEU . 97.7 mt -70.14 -41.78 73.41 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.989 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' MET . . . . . 0.6 ' N ' ' SD ' ' B' ' 48' ' ' MET . 0.0 OUTLIER -61.74 -33.85 74.79 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.969 0.414 . . . . 0.0 110.942 -179.47 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -83.08 -41.96 17.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.5 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.53 -48.82 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.051 0.453 . . . . 0.0 110.86 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.526 HD13 HG21 ' B' ' 55' ' ' VAL . 3.1 mm? -59.94 -54.8 41.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.319 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 30.0 m -55.83 -25.33 41.25 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.732 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -92.46 -76.61 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.914 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -57.81 -25.64 60.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.471 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.526 HG21 HD13 ' B' ' 51' ' ' LEU . 19.9 t -118.29 148.76 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.273 0.559 . . . . 0.0 110.757 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -92.8 88.8 6.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.207 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 m -142.88 132.74 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.015 0.436 . . . . 0.0 110.301 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.582 ' C ' ' H ' ' B' ' 60' ' ' ASP . 29.5 t -81.65 141.69 33.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.25 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 8.5 mt -53.56 -1.12 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.711 0.291 . . . . 0.0 111.223 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASP . . . . . 0.582 ' H ' ' C ' ' B' ' 58' ' ' SER . 32.8 t70 -88.4 -20.75 24.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.45 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -101.42 13.18 35.82 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.639 0.257 . . . . 0.0 110.655 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.454 ' N ' HD12 ' B' ' 62' ' ' ILE . 1.6 mp -92.46 110.18 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.947 0.404 . . . . 0.0 110.7 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.446 ' O ' HD12 ' B' ' 77' ' ' LEU . 42.9 ttm180 -95.55 123.63 39.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.822 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 96.1 mt -123.38 138.97 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.747 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.6 t -153.11 96.39 2.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.156 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -87.24 152.74 22.05 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -147.63 147.2 29.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.539 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -139.53 137.6 35.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.699 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -179.14 128.53 0.1 Allowed 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.665 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' B' ' 72' ' ' MET . 22.4 t0 54.64 55.65 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.835 0.35 . . . . 0.0 110.82 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 47.54 14.48 0.21 Allowed Glycine 0 CA--C 1.52 0.364 0 N-CA-C 111.296 -0.721 . . . . 0.0 111.296 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.447 ' N ' ' C ' ' B' ' 70' ' ' ASP . 55.1 tpp -113.1 98.92 7.45 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ASP . . . . . 0.551 ' CG ' HH22 ' B' ' 30' ' ' ARG . 92.5 m-20 -89.85 140.84 29.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.316 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 83.6 t -133.4 118.56 31.75 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.507 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.422 ' HB2' HD21 ' B' ' 40' ' ' LEU . 6.1 tp -106.32 104.83 14.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -89.46 118.78 29.36 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.967 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.537 HD23 HD11 ' B' ' 79' ' ' ILE . 7.7 tp -124.63 130.14 51.87 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.767 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ASN . . . . . 0.614 HD22 HH21 ' B' ' 21' ' ' ARG . 51.0 t-20 -132.48 123.24 26.23 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.129 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.596 HD12 ' N ' ' B' ' 79' ' ' ILE . 1.6 mp -123.3 151.66 27.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.448 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 29.4 m -114.09 115.74 28.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.678 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.447 ' O ' ' OD1' ' B' ' 20' ' ' ASP . 9.9 mp -86.11 117.73 69.2 Favored Pre-proline 0 C--O 1.245 0.843 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.627 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo . . . . . 0 C--N 1.317 -1.091 0 C-N-CA 122.578 2.186 . . . . 0.0 111.933 179.052 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HG3' ' H ' ' A' ' 20' ' ' ASP . 2.8 tpt180 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.931 0.396 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 86.7 m-20 -132.33 145.86 51.57 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.317 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.0 ttm105 -137.35 156.87 47.71 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.709 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.88 100.52 4.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.867 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -94.65 97.1 9.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.98 0.419 . . . . 0.0 110.333 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -98.6 108.57 22.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.296 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 94.8 mt -111.37 121.3 63.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 86.6 mt -114.02 118.57 58.77 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.116 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.2 97.17 6.9 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.418 ' NE2' ' CD1' ' A' ' 39' ' ' TYR . 6.6 tt0 -101.47 141.34 34.49 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.858 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 12.7 mp0 -134.88 111.89 10.23 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.271 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -117.54 137.43 52.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.029 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.07 179.246 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 9.4 p90 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.814 0.34 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.593 HD23 HD12 ' A' ' 75' ' ' LEU . 3.0 mt -56.49 -61.92 5.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.769 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 40' ' ' LEU . 48.2 Cg_endo -67.77 -11.66 32.84 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.735 2.29 . . . . 0.0 112.095 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.7 m -76.87 -53.1 8.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.06 -42.9 83.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.592 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -58.86 -50.95 72.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -55.76 -46.87 77.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.05 -37.89 84.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.941 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.94 -41.98 73.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.132 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.426 ' HE1' HD11 ' A' ' 77' ' ' LEU . 17.1 mmt -66.1 -30.08 70.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.413 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -84.36 -43.83 14.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' TYR . 42.4 t -64.68 -50.01 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.759 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.514 ' O ' ' O ' ' A' ' 55' ' ' VAL . 67.8 mt -60.25 -55.63 31.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.118 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.3 t -51.46 -25.62 6.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.946 0.403 . . . . 0.0 110.667 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -95.45 -70.54 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.369 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' VAL . 43.8 m-85 -62.13 -25.53 67.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' A' ' 51' ' ' LEU . 23.1 t -120.13 156.05 23.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.285 0.564 . . . . 0.0 110.828 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.426 ' N ' HG12 ' A' ' 55' ' ' VAL . 42.6 t-20 -101.69 90.45 4.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.824 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.17 130.24 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.302 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.558 ' C ' ' H ' ' A' ' 60' ' ' ASP . 70.0 m -83.79 143.56 29.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.455 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.4 mm? -51.49 -4.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.946 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.558 ' H ' ' C ' ' A' ' 58' ' ' SER . 97.8 m-20 -88.49 -22.86 23.42 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.186 0.517 . . . . 0.0 110.704 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -96.96 11.38 36.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.93 0.395 . . . . 0.0 110.816 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 63' ' ' ARG . 1.7 mp -92.86 159.63 2.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.09 0.471 . . . . 0.0 109.852 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.494 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 67.0 ttt180 -132.38 109.47 9.87 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.646 177.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.5 mm -94.84 120.95 44.98 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.192 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 p -148.11 100.91 3.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.153 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -99.06 150.28 22.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.839 0.352 . . . . 0.0 110.449 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -145.5 141.64 28.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.012 0.434 . . . . 0.0 110.701 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -152.68 133.92 14.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.628 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -174.28 116.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.69 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 72' ' ' MET . 15.5 t0 72.8 62.99 0.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.033 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 44.21 16.05 0.05 OUTLIER Glycine 0 C--O 1.239 0.437 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.528 ' N ' ' O ' ' A' ' 70' ' ' ASP . 54.0 ttm -109.08 108.57 19.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.021 0.439 . . . . 0.0 110.287 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -95.59 120.17 35.37 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.33 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.9 t -122.75 108.47 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 121.041 0.448 . . . . 0.0 110.324 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.593 HD12 HD23 ' A' ' 40' ' ' LEU . 1.3 tt -94.55 110.21 22.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.571 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.456 ' N ' HD23 ' A' ' 75' ' ' LEU . 83.3 tt0 -97.71 118.67 34.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.127 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 63' ' ' ARG . 11.6 tp -135.62 130.76 34.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.627 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -132.04 130.57 41.52 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.206 0.527 . . . . 0.0 110.361 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 79' ' ' ILE . 2.9 mp -128.64 150.35 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.807 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.4 m -116.9 113.79 22.95 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 mp -83.71 140.79 41.04 Favored Pre-proline 0 C--O 1.238 0.496 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.422 ' HA ' ' HE ' ' A' ' 19' ' ' ARG . 59.5 Cg_endo . . . . . 0 C--N 1.31 -1.463 0 C-N-CA 122.762 2.308 . . . . 0.0 112.396 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' ARG . . . . . 0.423 ' HG3' ' H ' ' B' ' 20' ' ' ASP . 2.8 tpt180 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.423 ' H ' ' HG3' ' B' ' 19' ' ' ARG . 86.2 m-20 -132.33 145.6 51.38 Favored 'General case' 0 C--N 1.335 -0.03 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.359 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 21' ' ' ARG . 28.2 ttm105 -137.11 156.57 48.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.699 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.48 100.57 4.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -94.44 96.88 9.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.03 0.443 . . . . 0.0 110.244 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -98.68 108.51 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.434 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 90.5 mt -111.17 122.47 65.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 86.2 mt -115.13 118.13 57.82 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.058 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.77 96.66 6.54 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.404 ' NE2' ' CD1' ' B' ' 39' ' ' TYR . 6.7 tt0 -100.77 141.08 34.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.41 . . . . 0.0 110.926 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' B' ' 29' ' ' GLU . 10.4 mp0 -134.34 111.93 10.59 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.303 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -117.92 138.01 52.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.973 0.415 . . . . 0.0 111.028 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.223 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.101 179.348 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' B' ' 40' ' ' LEU . 9.2 p90 . . . . . 0 N--CA 1.458 -0.026 0 CA-C-O 120.871 0.367 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.661 HD23 HD12 ' B' ' 75' ' ' LEU . 3.2 mt -55.34 -61.47 6.0 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.669 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' B' ' 40' ' ' LEU . 45.5 Cg_endo -67.83 -11.93 33.73 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.762 2.308 . . . . 0.0 112.045 178.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.7 m -77.14 -52.9 8.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.274 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.16 -42.77 83.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -59.21 -50.59 73.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.769 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -56.15 -46.68 79.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.552 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.15 -37.64 83.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.26 -42.02 72.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.141 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' MET . . . . . 0.409 ' HE1' HD11 ' B' ' 77' ' ' LEU . 17.6 mmt -65.92 -30.28 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.481 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -84.3 -43.68 14.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' B' ' 54' ' ' TYR . 42.0 t -64.94 -49.77 78.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.736 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.515 ' O ' ' O ' ' B' ' 55' ' ' VAL . 76.9 mt -60.24 -55.71 30.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.163 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.5 t -51.71 -25.39 7.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.957 0.408 . . . . 0.0 110.691 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -95.57 -70.7 0.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.284 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.468 ' N ' ' O ' ' B' ' 50' ' ' VAL . 44.7 m-85 -62.18 -25.55 67.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.515 ' O ' ' O ' ' B' ' 51' ' ' LEU . 25.2 t -120.13 156.38 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.262 0.553 . . . . 0.0 110.762 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ASN . . . . . 0.427 ' N ' HG12 ' B' ' 55' ' ' VAL . 43.3 t-20 -101.76 91.04 4.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.661 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.59 130.15 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.291 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' SER . . . . . 0.568 ' C ' ' H ' ' B' ' 60' ' ' ASP . 70.8 m -83.71 143.29 30.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.426 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.495 HD22 ' N ' ' B' ' 59' ' ' LEU . 4.4 mm? -51.34 -4.56 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.951 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASP . . . . . 0.568 ' H ' ' C ' ' B' ' 58' ' ' SER . 97.0 m-20 -88.75 -22.99 23.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.158 0.504 . . . . 0.0 110.708 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -96.83 11.27 36.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.9 0.381 . . . . 0.0 110.786 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' B' ' 63' ' ' ARG . 1.7 mp -92.82 159.62 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.121 0.486 . . . . 0.0 109.803 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.524 ' O ' HD12 ' B' ' 77' ' ' LEU . 66.8 ttt180 -131.84 109.72 10.31 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.66 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 25.7 mm -95.2 121.0 45.37 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.989 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.7 p -148.57 102.1 3.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -100.19 150.39 22.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.969 0.414 . . . . 0.0 110.355 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -145.03 142.27 29.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.667 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -153.26 133.45 13.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.704 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -173.89 116.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.684 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' B' ' 72' ' ' MET . 16.2 t0 72.46 63.69 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 44.31 15.34 0.04 OUTLIER Glycine 0 C--O 1.239 0.441 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.533 ' N ' ' O ' ' B' ' 70' ' ' ASP . 4.6 tpp -108.25 109.67 21.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.001 0.429 . . . . 0.0 110.469 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -96.87 120.5 37.32 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.315 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 43.1 t -123.45 108.67 21.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.027 0.441 . . . . 0.0 110.392 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.661 HD12 HD23 ' B' ' 40' ' ' LEU . 1.4 tt -94.54 110.74 22.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.609 -179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.441 ' N ' HD23 ' B' ' 75' ' ' LEU . 82.2 tt0 -98.2 118.04 33.94 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.152 0.501 . . . . 0.0 110.128 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.524 HD12 ' O ' ' B' ' 63' ' ' ARG . 11.4 tp -135.15 130.68 35.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.65 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -131.79 130.68 42.14 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.225 0.535 . . . . 0.0 110.425 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.423 HD12 ' N ' ' B' ' 79' ' ' ILE . 2.9 mp -128.65 150.49 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.803 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 4.6 m -117.08 112.88 21.52 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.066 0.46 . . . . 0.0 109.769 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 mp -82.71 140.98 44.17 Favored Pre-proline 0 C--O 1.24 0.602 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.789 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' PRO . . . . . 0.4 ' HA ' ' HE ' ' B' ' 19' ' ' ARG . 60.2 Cg_endo . . . . . 0 C--N 1.311 -1.404 0 C-N-CA 122.777 2.318 . . . . 0.0 112.416 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.412 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -71.76 134.2 46.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.684 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 3' ' ' LEU . 10.6 mp -64.83 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.793 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 71.6 mt -46.37 -27.65 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.522 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.579 ' O ' ' N ' ' A' ' 9' ' ' GLY . 96.9 mt-10 -75.2 -49.05 20.68 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.97 -42.97 94.11 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.902 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.33 -39.88 92.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.885 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.589 ' CE2' ' SD ' ' B' ' 72' ' ' MET . 93.8 m-85 -119.41 23.58 11.16 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.546 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 5' ' ' GLU . . . -72.79 21.35 0.96 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.621 HH11 ' HG2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -100.66 74.77 1.69 Allowed 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.162 0.506 . . . . 0.0 110.604 -179.658 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' H ' ' HD3' ' A' ' 11' ' ' LYS . 7.5 mmtp 46.08 -170.54 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.282 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -83.26 117.21 22.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.234 0.54 . . . . 0.0 110.209 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.568 ' O ' ' O ' ' A' ' 14' ' ' THR . 80.5 tttt -66.73 -31.74 72.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.151 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.568 ' O ' ' O ' ' A' ' 13' ' ' LYS . 2.0 p 37.25 -170.79 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.179 0.514 . . . . 0.0 111.212 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 14' ' ' THR . . . 60.64 132.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.767 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.6 p -84.48 123.88 30.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.237 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 t -72.58 -22.8 20.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.453 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.27 14.64 5.78 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.496 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.485 HH21 HG21 ' A' ' 80' ' ' THR . 14.5 mtp180 -147.18 177.63 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.278 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -121.35 150.17 41.86 Favored 'General case' 0 C--O 1.227 -0.091 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.779 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.563 ' HD3' HD22 ' A' ' 78' ' ' ASN . 43.7 ttm180 -137.4 156.2 48.47 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.85 123.8 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.782 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -121.57 95.62 4.75 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.712 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 80.3 mt -99.16 114.3 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.271 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -103.57 120.34 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.83 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 86.1 mt -107.22 127.45 62.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.315 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.55 93.3 3.81 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.94 0.4 . . . . 0.0 110.007 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.597 ' NE2' ' CD2' ' A' ' 40' ' ' LEU . 18.6 tt0 -92.41 124.2 36.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.573 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -120.07 121.71 39.47 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -126.77 136.04 51.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.937 0.398 . . . . 0.0 110.59 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -85.54 154.94 21.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.969 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.437 ' OE1' HG21 ' B' ' 16' ' ' THR . 2.4 pt20 -37.46 -31.19 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.793 0.33 . . . . 0.0 111.023 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 31' ' ' ALA . 47.6 tp10 -66.43 134.64 52.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.898 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.95 154.49 30.06 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -144.34 -167.31 2.59 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 110.549 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.506 ' O ' ' O ' ' A' ' 37' ' ' PRO . 7.0 m 52.31 85.2 0.19 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.83 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.506 ' O ' ' O ' ' A' ' 36' ' ' THR . 29.5 Cg_exo -53.25 -132.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.52 2.147 . . . . 0.0 112.5 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 21.0 t0 84.92 64.58 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 178.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.425 ' HB2' HE22 ' A' ' 28' ' ' GLN . 94.8 m-85 -144.16 -36.69 0.33 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.072 0.463 . . . . 0.0 110.256 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.597 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 4.0 mm? -65.02 -59.94 9.05 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.751 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.15 -11.86 33.04 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.127 1.885 . . . . 0.0 112.059 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.1 m -75.04 -53.57 8.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.85 0.357 . . . . 0.0 110.962 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.47 -42.11 92.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -59.34 -43.43 92.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.686 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.59 -49.99 75.32 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.464 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -61.98 -33.5 74.43 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.001 0.429 . . . . 0.0 110.655 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.2 mt -73.22 -40.04 65.02 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.166 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.1 mmt -65.16 -37.58 87.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.841 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -81.6 -41.71 21.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.253 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 46' ' ' ALA . 45.1 t -64.49 -49.19 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.233 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 55' ' ' VAL . 68.1 mt -61.54 -50.6 72.01 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.41 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.0 p -52.86 -28.99 25.47 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.646 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -93.35 -66.08 0.95 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.47 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -61.84 -26.89 68.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.314 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 51' ' ' LEU . 38.8 t -121.39 153.13 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.934 0.397 . . . . 0.0 110.629 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -95.37 74.98 3.34 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.418 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.9 m -131.92 129.2 60.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 110.343 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.538 ' C ' ' H ' ' A' ' 60' ' ' ASP . 47.9 t -83.49 142.85 30.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.552 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.3 mm? -52.51 -4.19 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.604 0.24 . . . . 0.0 110.575 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.538 ' H ' ' C ' ' A' ' 58' ' ' SER . 97.3 m-20 -84.71 -21.19 30.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -105.12 17.59 23.81 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.6 0.238 . . . . 0.0 110.802 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -95.04 113.75 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -97.44 121.49 39.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.42 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.66 138.56 48.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.462 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 t -153.08 97.26 2.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.24 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -87.26 150.74 23.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.257 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -148.53 102.73 3.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.198 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -98.72 152.1 20.03 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.624 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -163.71 108.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 51.94 -118.04 1.23 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.658 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.25 18.12 54.61 Favored Glycine 0 N--CA 1.467 0.766 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.593 ' SD ' ' CE2' ' B' ' 8' ' ' PHE . 49.1 ttm -129.78 126.78 38.96 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.016 0.436 . . . . 0.0 110.541 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -124.85 144.97 50.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.887 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.4 t -137.59 117.35 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.53 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.504 HD12 HD12 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -105.91 112.79 25.99 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.175 0.512 . . . . 0.0 109.985 -179.737 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -94.5 117.52 30.25 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.293 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.535 HD23 HD11 ' A' ' 79' ' ' ILE . 8.6 tp -123.55 126.05 45.97 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.932 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.563 HD22 ' HD3' ' A' ' 21' ' ' ARG . 38.0 t-20 -125.92 121.25 32.6 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.867 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.535 HD11 HD23 ' A' ' 77' ' ' LEU . 2.7 mp -117.71 138.89 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.485 HG21 HH21 ' A' ' 19' ' ' ARG . 2.9 m -106.26 112.26 25.2 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.6 mp -78.45 121.39 83.67 Favored Pre-proline 0 C--O 1.243 0.719 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.189 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.14 177.09 9.2 Favored 'Trans proline' 0 N--CA 1.485 1.024 0 C-N-CA 122.027 1.818 . . . . 0.0 112.232 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -124.6 130.5 52.55 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.196 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.0 pt20 -175.07 40.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.434 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -63.12 -40.21 96.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.135 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 84.6 tttt 60.49 145.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.464 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.6 m -52.89 -176.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.5 mp -97.42 123.59 41.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.251 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.883 -1.056 . . . . 0.0 110.542 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.405 ' C ' ' SD ' ' B' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -71.35 134.37 46.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.682 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.528 ' N ' HD12 ' B' ' 3' ' ' LEU . 10.6 mp -64.89 -38.12 89.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 71.8 mt -46.68 -27.24 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.452 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.577 ' O ' ' N ' ' B' ' 9' ' ' GLY . 96.0 mt-10 -75.46 -49.52 18.6 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.916 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mp -64.28 -43.03 96.07 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.862 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.33 -40.28 93.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.878 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' PHE . . . . . 0.593 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 94.2 m-85 -119.25 25.15 10.32 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.631 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' B' ' 5' ' ' GLU . . . -76.21 19.47 2.93 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.921 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.649 ' CG ' HH11 ' B' ' 10' ' ' ARG . 0.0 OUTLIER -101.23 72.98 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.236 0.541 . . . . 0.0 110.42 -179.514 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.484 ' N ' ' CD ' ' B' ' 11' ' ' LYS . 0.8 OUTLIER 52.68 -175.06 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.242 179.422 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -80.52 122.29 26.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.164 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.589 ' O ' ' O ' ' B' ' 14' ' ' THR . 79.2 tttt -89.28 44.7 1.23 Allowed 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.557 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.642 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 6.3 p -43.48 -178.54 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.162 0.506 . . . . 0.0 110.664 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 80.67 132.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.437 HG21 ' OE1' ' A' ' 32' ' ' GLN . 81.3 p -85.35 124.32 31.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.503 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 t -72.7 -22.89 20.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.405 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.22 14.77 5.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.577 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.494 HH21 HG21 ' B' ' 80' ' ' THR . 14.6 mtp180 -147.35 177.77 8.95 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.228 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -121.59 149.83 42.57 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.811 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.563 ' HD3' HD22 ' B' ' 78' ' ' ASN . 43.7 ttm180 -136.86 156.15 48.85 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.82 123.75 22.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.83 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -121.47 95.3 4.62 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.885 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 79.6 mt -98.98 114.08 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.309 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -103.38 120.36 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.928 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.5 mt -107.2 127.62 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.347 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.74 93.32 3.81 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.963 0.411 . . . . 0.0 110.033 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.595 ' NE2' ' CD2' ' B' ' 40' ' ' LEU . 18.4 tt0 -92.57 123.67 36.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.536 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -119.71 121.42 39.19 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -126.43 135.76 51.8 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.526 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' B' ' 33' ' ' GLU . . . -85.13 154.43 22.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.982 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -36.94 -30.98 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.839 0.352 . . . . 0.0 110.997 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' B' ' 31' ' ' ALA . 47.8 tp10 -66.63 134.23 51.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.826 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.96 155.12 29.64 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -145.65 -168.46 2.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.986 0.422 . . . . 0.0 110.382 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 9.5 m 55.52 82.68 0.24 Allowed Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.787 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' B' ' 38' ' ' ASP . 33.6 Cg_endo -75.03 152.14 40.24 Favored 'Trans proline' 0 N--CA 1.487 1.088 0 C-N-CA 121.91 1.74 . . . . 0.0 110.704 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' B' ' 37' ' ' PRO . 65.3 t0 167.54 59.11 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.4 ' HB2' HE22 ' B' ' 28' ' ' GLN . 97.8 m-85 -131.06 -33.21 1.55 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.707 0.289 . . . . 0.0 111.046 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.595 ' CD2' ' NE2' ' B' ' 28' ' ' GLN . 3.9 mm? -63.61 -60.71 8.54 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.092 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -66.51 -11.8 33.16 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 122.326 2.017 . . . . 0.0 111.779 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 93.6 m -74.95 -53.71 8.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.923 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.62 -42.12 91.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.63 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -59.42 -43.46 93.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.511 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.59 -49.84 75.93 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.415 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.528 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -62.13 -33.44 74.49 Favored 'General case' 0 CA--C 1.512 -0.519 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.658 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.3 -39.97 64.89 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.133 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 17.2 mmt -65.25 -37.55 87.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.822 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -81.62 -41.61 21.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 46' ' ' ALA . 43.4 t -64.58 -49.16 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' B' ' 55' ' ' VAL . 69.9 mt -61.46 -50.7 71.73 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.454 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -52.76 -29.17 25.75 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.648 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -93.27 -66.07 0.95 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.885 0.374 . . . . 0.0 111.443 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -61.87 -26.91 68.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.383 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' B' ' 51' ' ' LEU . 38.8 t -121.25 153.32 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 121.011 0.434 . . . . 0.0 110.581 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -95.56 74.92 3.25 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.489 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 4.0 m -131.85 129.37 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.904 0.383 . . . . 0.0 110.364 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.561 ' C ' ' H ' ' B' ' 60' ' ' ASP . 46.8 t -83.5 142.73 30.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.529 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.479 HD22 ' N ' ' B' ' 59' ' ' LEU . 4.3 mm? -52.54 -3.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.708 0.29 . . . . 0.0 110.655 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASP . . . . . 0.561 ' H ' ' C ' ' B' ' 58' ' ' SER . 96.9 m-20 -84.94 -21.02 29.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -105.17 17.15 24.54 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.575 0.226 . . . . 0.0 110.755 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -94.77 113.81 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -97.51 121.56 39.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.432 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.93 138.6 49.13 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.544 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.4 t -152.96 97.28 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.291 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -87.25 150.61 23.78 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.293 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -148.28 102.72 3.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.183 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -98.92 150.7 21.66 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -161.96 109.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.243 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 51.3 -117.54 1.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.674 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.46 17.99 54.33 Favored Glycine 0 N--CA 1.468 0.782 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.589 ' SD ' ' CE2' ' A' ' 8' ' ' PHE . 49.4 ttm -129.6 125.79 36.98 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.028 0.442 . . . . 0.0 110.585 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -123.85 144.88 49.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.968 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 84.3 t -137.63 117.26 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.384 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.527 HD12 HD12 ' B' ' 40' ' ' LEU . 0.9 OUTLIER -105.95 112.96 26.22 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.134 0.492 . . . . 0.0 109.776 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -94.65 117.47 30.17 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.271 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.535 HD23 HD11 ' B' ' 79' ' ' ILE . 8.8 tp -123.42 126.22 46.39 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.929 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ASN . . . . . 0.563 HD22 ' HD3' ' B' ' 21' ' ' ARG . 38.8 t-20 -126.09 121.42 32.86 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.882 179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.535 HD11 HD23 ' B' ' 77' ' ' LEU . 2.7 mp -117.85 139.16 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' THR . . . . . 0.494 HG21 HH21 ' B' ' 19' ' ' ARG . 2.9 m -106.53 112.08 24.93 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.34 121.2 83.49 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.083 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.15 176.75 9.64 Favored 'Trans proline' 0 N--CA 1.486 1.049 0 C-N-CA 122.074 1.849 . . . . 0.0 112.248 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -124.39 130.47 52.54 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.192 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 22.7 pt20 -174.78 40.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.468 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -63.1 -40.27 97.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.127 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 84.4 tttt 60.56 146.26 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.469 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 17.4 m -53.44 -176.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.5 mp -96.83 123.67 40.6 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.293 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.586 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.7 t -152.74 144.66 23.68 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.949 0.404 . . . . 0.0 110.48 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mp -62.98 -36.1 82.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.796 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 56.1 mt -54.0 -31.37 21.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.358 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 9' ' ' GLY . 97.0 mt-10 -74.23 -46.38 42.1 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.5 mt -65.1 -42.65 93.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.915 0.388 . . . . 0.0 111.301 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.2 mt -62.3 -42.16 99.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.784 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.604 ' CE2' ' SD ' ' B' ' 72' ' ' MET . 96.5 m-85 -118.17 29.62 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.369 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 5' ' ' GLU . . . -68.64 33.52 0.27 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.55 ' H ' ' C ' ' A' ' 8' ' ' PHE . 99.7 mtt180 -62.39 139.54 58.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.336 . . . . 0.0 110.337 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -48.98 -32.35 9.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.53 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -146.15 143.51 29.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.48 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -69.6 132.77 46.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.404 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.0 m -77.5 135.44 38.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.721 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.58 168.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.514 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.487 HG22 ' H ' ' A' ' 18' ' ' ALA . 11.2 m -65.92 131.13 45.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.661 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 17' ' ' VAL . 9.2 p -120.53 23.12 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.487 ' H ' HG22 ' A' ' 16' ' ' THR . . . 47.87 -160.91 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.085 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' ' 18' ' ' ALA . 0.4 OUTLIER 43.65 -170.71 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.445 -179.696 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' B' ' 29' ' ' GLU . 12.0 t70 -146.41 164.91 30.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.35 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 98.0 mtt180 -135.36 153.64 51.77 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.419 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.36 98.4 4.23 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.258 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -95.42 97.49 9.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.796 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.7 mt -101.76 109.48 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.44 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.4 mm -102.31 126.6 56.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.911 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.7 mt -116.87 134.61 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.351 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.11 109.47 9.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.145 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -101.93 126.0 48.74 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.536 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' B' ' 20' ' ' ASP . 81.6 tt0 -123.22 110.23 14.98 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.7 mtm-85 -105.35 138.76 41.03 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.746 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -68.94 116.51 9.49 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.33 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.473 ' O ' ' C ' ' A' ' 33' ' ' GLU . 24.2 pt20 -43.27 -16.98 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' ALA . 12.2 tm-20 -26.47 -75.96 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.67 0.606 . . . . 0.0 111.149 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.513 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -179.64 95.48 0.1 OUTLIER Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -173.41 159.89 3.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.869 0.366 . . . . 0.0 110.566 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 m -160.61 64.9 2.18 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.438 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -78.24 -173.68 1.94 Allowed 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.9 2.4 . . . . 0.0 111.895 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -147.46 74.85 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.823 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -96.51 0.43 50.2 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.532 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 8.0 mt -68.88 -49.11 27.89 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.414 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 60.6 Cg_endo -75.26 -12.96 21.01 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 122.324 2.016 . . . . 0.0 111.798 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.4 m -76.71 -54.03 7.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.662 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.26 -42.22 88.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -58.83 -43.5 90.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.789 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -62.39 -47.74 82.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.719 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -61.5 -36.34 80.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.021 0.439 . . . . 0.0 110.812 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.0 mt -71.91 -41.56 67.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.145 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.7 mmt -65.83 -33.5 75.98 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.769 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -83.61 -41.71 17.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 46' ' ' ALA . 47.7 t -65.15 -48.71 82.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.186 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.486 ' O ' ' O ' ' A' ' 55' ' ' VAL . 70.2 mt -60.76 -55.86 28.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.078 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -50.85 -27.13 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.811 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -94.63 -69.92 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.474 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' VAL . 44.8 m-85 -61.38 -26.25 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.5 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.486 ' O ' ' O ' ' A' ' 51' ' ' LEU . 25.9 t -118.77 152.66 21.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 121.202 0.525 . . . . 0.0 110.569 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -97.88 87.19 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.427 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.96 133.17 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.268 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.524 ' C ' ' H ' ' A' ' 60' ' ' ASP . 13.0 t -86.04 143.5 28.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.165 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.9 mt -52.63 -4.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.87 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.524 ' H ' ' C ' ' A' ' 58' ' ' SER . 98.3 m-20 -84.15 -23.04 30.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.713 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -103.08 13.63 33.71 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.777 0.322 . . . . 0.0 110.536 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -97.69 116.22 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.092 0.472 . . . . 0.0 110.226 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.557 ' O ' HD12 ' A' ' 77' ' ' LEU . 55.1 ttm-85 -93.93 117.47 30.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.277 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.3 mm -107.3 131.07 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 CA-C-O 121.15 0.5 . . . . 0.0 111.02 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -146.16 130.86 17.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.888 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -130.67 152.91 49.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.25 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -144.13 107.6 4.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.235 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -86.05 136.85 33.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.503 ' O ' ' O ' ' A' ' 72' ' ' MET . 10.5 tp-100 -154.28 151.36 29.03 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' A' ' 72' ' ' MET . 47.3 m-20 -30.63 130.76 0.1 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.723 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 70' ' ' ASP . . . 22.71 38.59 0.01 OUTLIER Glycine 0 CA--C 1.532 1.121 0 O-C-N 123.898 0.749 . . . . 0.0 112.159 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.621 ' N ' ' O ' ' A' ' 70' ' ' ASP . 52.3 tpp -156.05 141.95 18.05 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-O 121.576 0.703 . . . . 0.0 110.539 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -147.17 141.8 26.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.234 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.91 117.36 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.407 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.1 tt -107.01 104.58 14.28 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.054 0.454 . . . . 0.0 110.178 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -88.49 127.37 35.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.126 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 63' ' ' ARG . 61.3 tp -131.81 124.1 28.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.305 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -127.51 123.07 35.03 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.273 179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.5 mp -122.37 147.99 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 120.764 0.316 . . . . 0.0 110.276 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -116.84 110.87 18.92 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.609 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 81' ' ' LEU . 11.0 mp -80.44 141.49 52.98 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.926 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -74.82 171.71 17.72 Favored 'Trans proline' 0 N--CA 1.488 1.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.114 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.563 ' O ' ' O ' ' A' ' 84' ' ' GLN . 62.6 tt0 -96.49 146.53 24.71 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.563 ' O ' ' O ' ' A' ' 83' ' ' GLU . 72.5 mt-30 33.86 -164.09 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.64 0.587 . . . . 0.0 111.271 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -94.56 171.41 8.82 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -58.19 142.01 48.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.071 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.9 m -121.42 162.93 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.619 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 53.0 mt -88.79 127.38 35.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.185 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.455 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 35.8 t -150.5 144.87 25.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.647 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mp -62.97 -35.89 81.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 55.8 mt -54.02 -31.01 20.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.172 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' B' ' 9' ' ' GLY . 99.2 mt-10 -74.85 -46.46 36.28 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 60.8 mt -64.56 -42.88 95.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.943 0.401 . . . . 0.0 111.132 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 59.2 mt -62.64 -42.18 99.45 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.962 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' PHE . . . . . 0.552 ' C ' ' H ' ' B' ' 10' ' ' ARG . 96.0 m-85 -118.36 29.73 7.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.613 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' B' ' 5' ' ' GLU . . . -68.88 32.04 0.29 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.552 ' H ' ' C ' ' B' ' 8' ' ' PHE . 99.7 mtt180 -60.62 134.81 57.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 0.0 110.197 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -44.18 -33.78 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.5 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -144.98 143.57 30.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.408 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -69.74 132.46 46.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.438 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -77.0 138.01 39.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.685 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.7 170.69 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.537 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.473 HG22 ' H ' ' B' ' 18' ' ' ALA . 9.6 m -67.56 130.17 42.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.777 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.503 HG22 ' O ' ' B' ' 17' ' ' VAL . 9.4 p -119.68 23.3 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 121.142 0.496 . . . . 0.0 110.807 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.473 ' H ' HG22 ' B' ' 16' ' ' THR . . . 47.34 -160.75 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.294 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' B' ' 18' ' ' ALA . 0.4 OUTLIER 43.95 -170.29 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.489 -179.643 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 29' ' ' GLU . 15.0 t70 -146.5 164.7 31.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.441 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.436 ' N ' ' CG ' ' B' ' 20' ' ' ASP . 97.9 mtt180 -135.37 153.72 51.73 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.368 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.77 98.22 4.12 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.369 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -95.29 97.51 9.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.82 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 89.1 mt -101.72 109.72 26.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.43 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 21.6 mm -102.25 125.76 56.42 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.984 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 91.6 mt -115.81 133.54 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.364 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.38 110.17 10.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.225 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -102.71 126.43 49.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.694 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 82.1 tt0 -123.71 109.54 13.83 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 49.2 mtm-85 -105.1 139.22 40.09 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.513 ' O ' ' N ' ' B' ' 33' ' ' GLU . . . -69.49 117.41 11.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.521 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.475 ' O ' ' C ' ' B' ' 33' ' ' GLU . 26.1 pt20 -43.48 -17.01 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.109 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' B' ' 34' ' ' GLY . 11.8 tm-20 -26.63 -76.99 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.63 0.581 . . . . 0.0 111.136 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.526 ' N ' ' OE1' ' B' ' 33' ' ' GLU . . . -178.79 95.31 0.1 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -173.1 159.7 3.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.339 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 9.3 m -160.34 64.76 2.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.528 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -77.98 -173.8 1.97 Allowed 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.768 2.312 . . . . 0.0 111.94 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -147.8 74.6 1.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.811 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -96.13 -0.52 50.06 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.633 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 8.5 mt -67.5 -48.94 43.51 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.392 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 61.1 Cg_endo -75.31 -13.13 20.88 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 122.366 2.044 . . . . 0.0 111.725 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 93.8 m -76.37 -54.21 7.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.604 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.25 -42.65 88.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.562 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -58.38 -43.57 88.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.706 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -62.49 -47.69 82.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.587 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.506 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -61.55 -36.3 80.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.044 0.45 . . . . 0.0 110.807 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 86.4 mt -71.95 -41.15 68.11 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.129 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 24.5 mmt -66.28 -33.45 75.77 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.663 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -83.61 -42.15 17.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 46' ' ' ALA . 47.7 t -64.73 -48.5 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.184 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' B' ' 55' ' ' VAL . 69.6 mt -61.01 -56.14 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.055 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.6 t -50.64 -27.07 6.19 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -94.68 -69.47 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.932 0.396 . . . . 0.0 111.56 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' B' ' 50' ' ' VAL . 44.8 m-85 -61.76 -26.1 67.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.507 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.487 ' O ' ' O ' ' B' ' 51' ' ' LEU . 30.6 t -119.28 151.78 21.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.23 0.538 . . . . 0.0 110.702 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -96.93 88.09 4.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.494 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 m -145.85 133.15 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.183 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.548 ' C ' ' H ' ' B' ' 60' ' ' ASP . 15.7 t -85.93 143.56 28.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.259 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 64.0 mt -52.66 -5.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.872 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASP . . . . . 0.548 ' H ' ' C ' ' B' ' 58' ' ' SER . 93.4 m-20 -83.96 -22.99 31.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.668 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -102.85 13.66 33.85 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.644 0.259 . . . . 0.0 110.479 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.37 116.41 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.3 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.524 ' O ' HD12 ' B' ' 77' ' ' LEU . 55.7 ttm-85 -93.91 118.3 31.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.268 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 mm -108.15 130.94 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -146.19 129.8 16.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.887 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -129.24 153.0 48.21 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.102 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -144.2 108.01 4.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.389 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -87.65 134.79 33.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.417 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.494 ' O ' ' O ' ' B' ' 70' ' ' ASP . 10.6 tp-100 -156.21 116.13 3.61 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' B' ' 72' ' ' MET . 78.6 m-20 27.54 -148.46 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 O-C-N 124.08 0.863 . . . . 0.0 110.633 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.85 42.22 0.2 Allowed Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.604 ' SD ' ' CE2' ' A' ' 8' ' ' PHE . 37.0 ttm -148.89 151.01 33.93 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-O 121.001 0.429 . . . . 0.0 110.667 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -152.51 141.64 21.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.166 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.87 118.26 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.295 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.412 HD23 ' C ' ' B' ' 75' ' ' LEU . 4.2 tt -108.22 104.92 14.42 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.027 0.441 . . . . 0.0 110.247 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -88.29 128.81 35.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.202 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.524 HD12 ' O ' ' B' ' 63' ' ' ARG . 56.0 tp -132.62 122.38 24.62 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.402 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -125.86 123.93 39.75 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.298 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.3 mp -123.41 147.59 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.776 0.322 . . . . 0.0 110.362 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -116.17 109.38 17.38 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.422 HD12 ' N ' ' B' ' 81' ' ' LEU . 11.1 mp -79.73 140.03 54.69 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.12 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -74.97 165.72 30.75 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 122.726 2.284 . . . . 0.0 111.974 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' B' ' 84' ' ' GLN . 25.2 tt0 -74.8 -148.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.53 ' O ' ' O ' ' B' ' 83' ' ' GLU . 74.7 mt-30 -43.22 177.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.336 0.588 . . . . 0.0 110.768 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -65.97 167.24 10.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.686 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -55.24 145.0 22.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.326 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 28.4 m -122.82 162.18 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.591 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 54.9 mt -87.21 126.27 34.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.104 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.439 -179.906 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptp . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -72.45 127.08 31.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.539 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.2 mt -65.56 -33.22 75.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.707 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.5 mt -46.22 -26.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.446 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -75.76 -49.89 16.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.029 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.76 -43.91 95.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.593 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.24 -45.08 94.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.49 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.508 ' CD2' ' SD ' ' B' ' 72' ' ' MET . 99.3 m-85 -122.1 -82.88 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.892 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.2 -144.31 17.15 Favored Glycine 0 N--CA 1.465 0.589 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -84.27 -54.62 4.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.77 0.319 . . . . 0.0 110.714 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.7 mttt 46.1 -170.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.495 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -142.82 131.61 22.74 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.509 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -67.92 133.61 49.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.712 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.445 ' O ' ' O ' ' A' ' 15' ' ' ALA . 2.8 t -150.53 149.3 29.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.544 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 14' ' ' THR . . . 52.28 170.84 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.271 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.46 83.78 2.16 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.538 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.4 p -76.54 118.45 23.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.874 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.445 ' O ' ' OE1' ' A' ' 83' ' ' GLU . . . -88.94 72.65 8.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.618 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 4.0 mtp180 -168.38 178.3 4.94 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.372 0.606 . . . . 0.0 110.559 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 19' ' ' ARG . 4.3 m-20 -139.64 167.01 23.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.464 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.503 ' NE ' ' OE2' ' B' ' 29' ' ' GLU . 60.0 ttp180 -137.33 156.01 48.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.598 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.27 107.57 6.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.571 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -101.43 101.29 11.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.323 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.0 mt -97.64 114.87 36.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.194 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.4 mt -111.6 124.12 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.161 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 89.5 mt -117.14 127.5 74.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.238 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.7 103.41 8.86 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.115 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -102.48 126.93 49.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.221 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.485 ' OE2' ' NE ' ' B' ' 21' ' ' ARG . 7.4 pt-20 -121.98 115.72 23.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.271 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.617 ' NH2' ' H ' ' A' ' 39' ' ' TYR . 93.0 mtt180 -108.83 117.69 34.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.31 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.528 ' O ' ' C ' ' A' ' 32' ' ' GLN . . . -78.54 148.92 33.2 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.528 ' C ' ' O ' ' A' ' 31' ' ' ALA . 28.7 mm-40 -18.72 -74.16 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.989 0.806 . . . . 0.0 110.987 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -83.33 58.21 4.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.263 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -94.91 -81.02 1.53 Allowed Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.25 156.87 8.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.95 0.405 . . . . 0.0 110.217 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.578 ' N ' ' CD ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -92.7 -44.45 0.34 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.1 179.569 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 36' ' ' THR . 41.4 Cg_exo -55.57 134.62 65.01 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.236 1.957 . . . . 0.0 111.68 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 38' ' ' ASP . 36.8 p-10 -92.76 124.3 36.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.402 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.617 ' H ' ' NH2' ' A' ' 30' ' ' ARG . 47.1 m-85 -103.38 2.28 33.75 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.564 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -61.06 -46.52 96.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 7.7 Cg_exo -72.06 -14.96 29.19 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.933 2.422 . . . . 0.0 111.674 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.6 m -78.22 -55.22 5.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.32 -43.86 93.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.742 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -60.17 -43.23 96.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.801 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -62.75 -49.02 76.67 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.988 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.666 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -58.15 -31.42 67.2 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.793 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.0 mt -75.49 -40.59 57.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.854 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.7 mmt -68.86 -39.15 80.03 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.499 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -61.92 -53.66 52.6 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.245 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.766 HG23 ' H ' ' A' ' 51' ' ' LEU . 16.4 m -62.49 -62.13 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.453 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.766 ' H ' HG23 ' A' ' 50' ' ' VAL . 71.4 mt -43.9 -24.3 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.705 0.288 . . . . 0.0 111.049 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.0 t -76.12 -44.05 40.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.268 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -105.7 -47.36 3.92 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.923 0.392 . . . . 0.0 111.135 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.3 m-85 -57.37 -43.73 83.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.775 -178.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.547 HG12 ' N ' ' A' ' 56' ' ' ASN . 47.3 t -111.42 161.71 9.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.38 . . . . 0.0 110.282 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.547 ' N ' HG12 ' A' ' 55' ' ' VAL . 74.0 m-20 -94.56 70.67 3.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.724 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.22 129.68 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.251 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.549 ' C ' ' H ' ' A' ' 60' ' ' ASP . 47.9 t -83.67 146.21 28.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.176 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.2 mm? -54.59 -2.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.765 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.549 ' H ' ' C ' ' A' ' 58' ' ' SER . 96.5 m-20 -86.01 -20.75 28.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.619 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -104.76 15.88 27.05 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.633 0.254 . . . . 0.0 110.714 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -92.88 117.82 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 110.52 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.514 ' O ' HD12 ' A' ' 77' ' ' LEU . 60.7 ttm-85 -93.46 98.03 10.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.785 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 tp -97.94 132.63 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.004 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 t -153.67 95.34 1.88 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.127 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.469 ' CD ' ' N ' ' A' ' 67' ' ' GLU . 1.0 OUTLIER -87.03 151.6 23.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.493 -179.798 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 66' ' ' GLN . 80.0 mt-10 -155.65 131.27 9.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.591 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -142.55 151.44 41.59 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -168.63 138.69 2.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.601 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' A' ' 71' ' ' GLY . 63.6 t0 56.91 -123.26 1.72 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.319 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.457 ' H ' ' CG ' ' A' ' 70' ' ' ASP . . . -110.82 5.08 29.15 Favored Glycine 0 N--CA 1.465 0.608 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.5 ' SD ' ' CD2' ' B' ' 8' ' ' PHE . 37.5 ttm -112.33 123.86 51.2 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.886 0.374 . . . . 0.0 110.396 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.61 143.93 44.63 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.285 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 m -138.15 159.52 32.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 121.018 0.437 . . . . 0.0 110.149 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.87 131.22 28.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.598 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -113.34 115.5 28.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.987 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 63' ' ' ARG . 42.7 tp -132.71 122.42 24.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.426 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.452 HD22 ' HD2' ' A' ' 21' ' ' ARG . 26.6 t-20 -126.02 123.1 37.69 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.879 179.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.0 mp -118.15 141.51 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.902 0.382 . . . . 0.0 110.09 -179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.5 m -110.62 109.1 19.26 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.962 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.2 mp -77.46 133.45 67.49 Favored Pre-proline 0 C--O 1.237 0.424 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.585 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -74.95 -172.26 1.2 Allowed 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.531 2.154 . . . . 0.0 112.186 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.445 ' OE1' ' O ' ' A' ' 18' ' ' ALA . 50.3 tp10 -86.15 -74.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.161 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -161.25 -57.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.65 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -80.72 144.75 31.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.391 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.94 19.3 20.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.658 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t 58.15 103.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.544 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 88' ' ' LEU . 9.9 mp -78.58 140.4 38.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.35 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.578 179.841 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.2 ptp . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -69.92 126.96 31.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.509 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 58.3 mt -65.72 -32.7 74.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.731 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 61.6 mt -46.36 -26.65 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.532 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -76.25 -49.81 16.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.65 -43.88 95.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.474 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.49 -44.87 95.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.493 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' PHE . . . . . 0.5 ' CD2' ' SD ' ' A' ' 72' ' ' MET . 99.8 m-85 -122.23 -83.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.38 -145.13 17.46 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -83.51 -54.64 4.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.784 0.326 . . . . 0.0 110.624 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 88.2 mttt 46.22 -170.3 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.604 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -141.83 130.76 23.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.534 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -68.84 131.45 45.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.559 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.465 ' O ' ' O ' ' B' ' 15' ' ' ALA . 2.9 t -149.2 152.39 35.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.578 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' B' ' 14' ' ' THR . . . 50.94 171.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.481 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.6 83.1 2.09 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.942 0.401 . . . . 0.0 110.186 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.542 HG13 ' O ' ' B' ' 17' ' ' VAL . 7.9 p -76.07 118.53 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.98 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.441 ' O ' ' OE1' ' B' ' 83' ' ' GLU . . . -88.96 73.22 8.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.469 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.44 ' O ' ' OD1' ' B' ' 20' ' ' ASP . 4.1 mtp180 -169.33 177.95 4.5 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.379 0.609 . . . . 0.0 110.605 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' B' ' 19' ' ' ARG . 4.1 m-20 -139.94 165.82 26.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.286 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.485 ' NE ' ' OE2' ' A' ' 29' ' ' GLU . 60.0 ttp180 -135.52 156.95 48.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.617 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.98 108.77 6.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.513 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -102.9 101.68 11.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.383 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 72.4 mt -97.93 115.13 37.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.241 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 91.5 mt -111.67 123.99 68.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.074 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.4 mt -117.36 127.32 74.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.195 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.46 103.46 8.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.158 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -102.73 125.58 49.52 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.2 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.503 ' OE2' ' NE ' ' A' ' 21' ' ' ARG . 7.5 pt-20 -120.42 116.49 25.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.285 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.592 ' NH2' ' H ' ' B' ' 39' ' ' TYR . 94.6 mtt180 -109.63 117.49 34.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.323 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' B' ' 34' ' ' GLY . . . -78.01 148.4 34.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.775 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.513 ' C ' ' O ' ' B' ' 31' ' ' ALA . 28.9 mm-40 -18.54 -73.6 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.1 0.875 . . . . 0.0 110.876 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -84.22 58.82 4.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.275 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' B' ' 31' ' ' ALA . . . -95.74 -79.68 1.47 Allowed Glycine 0 N--CA 1.465 0.593 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.05 156.56 7.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.018 0.437 . . . . 0.0 110.274 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' THR . . . . . 0.59 ' N ' ' CD ' ' B' ' 37' ' ' PRO . 0.1 OUTLIER -92.05 -44.92 0.35 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.172 179.595 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' B' ' 36' ' ' THR . 38.4 Cg_exo -55.28 134.77 65.74 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.189 1.926 . . . . 0.0 111.974 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -92.59 125.42 37.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.333 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.592 ' H ' ' NH2' ' B' ' 30' ' ' ARG . 46.0 m-85 -104.35 2.46 31.36 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.704 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.564 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 0.6 OUTLIER -61.1 -46.59 96.19 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 7.5 Cg_exo -71.77 -15.05 30.09 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.933 2.422 . . . . 0.0 111.786 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 92.9 m -78.52 -55.82 4.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.146 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.78 -44.08 94.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.605 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -60.0 -43.32 95.29 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.734 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -62.43 -49.62 74.75 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.991 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.678 ' O ' HG22 ' B' ' 50' ' ' VAL . . . -57.58 -31.44 66.17 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.695 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.2 mt -75.49 -40.43 57.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.967 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 22.5 mmt -68.96 -39.24 79.62 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.505 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -61.97 -53.54 54.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.232 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.768 HG23 ' H ' ' B' ' 51' ' ' LEU . 16.4 m -62.63 -62.41 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.539 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.768 ' H ' HG23 ' B' ' 50' ' ' VAL . 71.3 mt -43.67 -24.73 0.13 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.73 0.3 . . . . 0.0 111.064 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.1 t -75.59 -44.04 45.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.369 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -105.86 -47.59 3.84 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.977 0.418 . . . . 0.0 111.165 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' B' ' 50' ' ' VAL . 3.2 m-85 -57.03 -43.67 82.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.782 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.538 HG12 ' N ' ' B' ' 56' ' ' ASN . 45.4 t -111.62 161.54 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.007 0.432 . . . . 0.0 110.29 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.538 ' N ' HG12 ' B' ' 55' ' ' VAL . 73.6 m-20 -94.37 70.31 3.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.824 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -136.72 129.76 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.175 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.546 ' C ' ' H ' ' B' ' 60' ' ' ASP . 46.7 t -83.62 146.24 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.069 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.509 HD22 ' N ' ' B' ' 59' ' ' LEU . 4.3 mm? -54.54 -3.04 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.41 0.444 . . . . 0.0 110.649 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASP . . . . . 0.546 ' H ' ' C ' ' B' ' 58' ' ' SER . 96.2 m-20 -85.55 -20.6 29.35 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -104.81 15.99 26.83 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.742 0.306 . . . . 0.0 110.749 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -93.03 117.69 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.467 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.506 ' O ' HD12 ' B' ' 77' ' ' LEU . 60.2 ttm-85 -93.21 97.13 10.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.913 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 tp -97.0 132.18 42.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.103 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.4 t -153.72 95.24 1.86 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.706 -0.398 . . . . 0.0 109.969 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.461 HE21 ' HB3' ' B' ' 66' ' ' GLN . 0.9 OUTLIER -87.16 151.87 22.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.638 -179.696 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' B' ' 66' ' ' GLN . 79.4 mt-10 -155.68 131.11 9.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.617 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -142.39 151.06 41.47 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -168.45 139.01 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.584 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.433 ' CG ' ' H ' ' B' ' 71' ' ' GLY . 57.9 t0 56.54 -123.57 1.8 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.433 ' H ' ' CG ' ' B' ' 70' ' ' ASP . . . -110.67 6.07 29.6 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.508 ' SD ' ' CD2' ' A' ' 8' ' ' PHE . 39.7 ttm -113.43 124.19 51.85 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.935 0.398 . . . . 0.0 110.313 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -115.99 143.41 45.49 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.277 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.1 m -137.73 159.26 34.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 110.02 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.15 131.53 30.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.502 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -113.63 113.95 25.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.126 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.506 HD12 ' O ' ' B' ' 63' ' ' ARG . 42.7 tp -131.34 122.89 27.15 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.537 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ASN . . . . . 0.434 HD22 ' HD2' ' B' ' 21' ' ' ARG . 25.1 t-20 -126.36 122.89 36.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.944 179.251 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 1.9 mp -117.77 141.83 34.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 120.781 0.324 . . . . 0.0 110.387 -179.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 88.6 m -110.67 109.62 19.97 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.563 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.4 mp -78.08 133.09 65.51 Favored Pre-proline 0 C--O 1.237 0.439 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.667 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -75.17 -174.52 1.99 Allowed 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.65 2.234 . . . . 0.0 112.216 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 18' ' ' ALA . 49.4 tp10 -83.85 -75.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.233 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -160.97 -57.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.699 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -81.19 143.74 32.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.451 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.68 17.57 23.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.738 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t 59.45 103.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.487 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.582 ' N ' HD12 ' B' ' 88' ' ' LEU . 9.8 mp -77.91 141.35 39.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.418 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.557 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 ttp . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 p -145.38 127.47 15.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.69 -36.5 84.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.754 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 59.1 mt -43.5 -27.02 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.541 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -70.43 -57.14 5.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 110.654 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 6' ' ' LEU . 10.3 mp -64.27 -42.71 96.31 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.693 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.07 -45.78 91.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.55 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -119.86 -73.44 0.65 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.448 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.38 -108.45 3.21 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -139.89 133.36 30.13 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.93 0.395 . . . . 0.0 110.428 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -157.35 100.04 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.483 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -80.18 -15.43 57.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.345 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.5 ' N ' ' OE1' ' A' ' 12' ' ' GLN . 38.2 tptt -74.2 133.45 42.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.572 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.0 m 42.6 75.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.656 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.32 -54.72 2.71 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.543 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.4 p -83.47 53.2 2.43 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.41 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.538 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 11.4 p -60.52 -27.76 40.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.567 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . 72.81 51.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.456 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -161.97 176.54 10.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.308 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -117.79 148.1 42.38 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.995 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -134.85 151.37 50.86 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.104 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.7 tp -141.81 116.63 9.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.464 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -116.16 102.82 9.94 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.684 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.3 mt -98.44 113.1 32.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.5 mt -103.8 119.99 53.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.774 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 81.6 mt -108.3 127.43 64.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.027 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.66 123.19 41.31 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.025 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -121.68 125.27 46.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.893 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -123.13 112.4 17.68 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -103.04 128.99 49.67 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.171 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . -72.83 130.69 41.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.39 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.64 ' CD ' ' H ' ' A' ' 32' ' ' GLN . 0.1 OUTLIER -37.19 -36.33 0.13 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.508 -179.523 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.8 -43.07 76.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.269 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -82.24 149.57 27.88 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.47 ' O ' ' OE2' ' B' ' 83' ' ' GLU . 7.3 pt20 -150.23 138.59 20.47 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.06 150.9 17.08 Favored Pre-proline 0 C--N 1.327 -0.392 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.65 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 53.7 Cg_exo -38.49 -72.2 0.05 OUTLIER 'Trans proline' 0 C--N 1.314 -1.265 0 C-N-CA 122.577 2.185 . . . . 0.0 112.855 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 1.2 p30 165.47 164.84 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -137.24 8.48 2.93 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.544 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.622 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 13.3 mt -72.71 -39.38 5.66 Favored Pre-proline 0 C--O 1.235 0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.28 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 57.5 Cg_endo -82.77 -19.41 6.06 Favored 'Trans proline' 0 N--CA 1.488 1.172 0 C-N-CA 122.333 2.022 . . . . 0.0 111.895 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.9 m -75.64 -51.26 13.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.065 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.58 -44.3 74.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.423 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.711 ' CG ' HH11 ' A' ' 44' ' ' ARG . 0.0 OUTLIER -57.15 -41.84 79.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.947 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.39 -51.59 68.14 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.045 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' HG12 ' A' ' 50' ' ' VAL . . . -63.98 -29.89 71.01 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.895 0.379 . . . . 0.0 111.009 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.58 -36.91 76.71 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.9 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.472 ' HG3' ' NH1' ' A' ' 44' ' ' ARG . 17.7 mmt -76.64 -29.68 56.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.463 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -81.17 -42.55 20.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.361 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.574 HG13 ' N ' ' A' ' 51' ' ' LEU . 14.5 p -64.72 -46.7 91.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.555 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.574 ' N ' HG13 ' A' ' 50' ' ' VAL . 3.7 mp -60.55 -56.02 26.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.041 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -50.99 -28.21 9.41 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.706 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -95.47 -73.12 0.6 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.909 0.385 . . . . 0.0 111.731 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 50' ' ' VAL . 32.7 m-85 -57.1 -27.1 61.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' A' ' 51' ' ' LEU . 20.6 t -120.15 159.69 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.021 0.439 . . . . 0.0 110.429 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.446 ' N ' HG12 ' A' ' 55' ' ' VAL . 63.2 t30 -99.41 76.35 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.345 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 m -138.8 132.84 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.17 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.3 t -91.84 142.8 27.17 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 59' ' ' LEU . 10.9 mp -46.74 -14.8 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.352 0.408 . . . . 0.0 110.323 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 61' ' ' ASN . 55.3 p-10 -74.35 -27.42 60.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.585 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.54 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 94.2 m-20 -94.46 16.63 14.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.528 HD12 ' N ' ' A' ' 62' ' ' ILE . 1.5 mp -95.25 160.84 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.466 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 73.5 ttt180 -138.81 97.29 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.002 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.9 mm -83.81 126.07 40.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.501 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -142.92 94.59 2.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.84 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 64.1 tt0 -91.81 145.09 24.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.428 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -149.92 102.76 3.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.088 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -107.21 156.4 18.88 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -165.39 118.8 1.2 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.459 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 48.79 -132.78 1.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.495 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.8 -4.56 88.72 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.501 ' SD ' ' N ' ' A' ' 73' ' ' ASP . 2.5 tpt -101.72 126.05 48.5 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.992 0.425 . . . . 0.0 110.114 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.501 ' N ' ' SD ' ' A' ' 72' ' ' MET . 96.7 m-20 -128.93 143.75 50.98 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.349 179.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -147.14 127.21 4.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.8 tt -108.45 115.62 30.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.102 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -93.41 120.28 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.213 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 tp -125.09 124.16 41.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.466 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -123.74 128.37 49.49 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.389 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.5 mp -128.85 147.39 33.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.947 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.1 m -115.55 110.8 19.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.8 mp -77.97 145.57 70.08 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.413 ' HG2' ' H ' ' A' ' 83' ' ' GLU . 56.7 Cg_endo -69.3 -77.9 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.673 2.248 . . . . 0.0 112.475 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.465 ' OE2' ' O ' ' B' ' 35' ' ' GLN . 36.6 tp10 62.8 129.45 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.519 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 56.64 103.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.426 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -61.2 135.25 57.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.469 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.27 -45.6 90.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.723 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.3 p -79.22 137.39 21.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 48.5 tp 54.09 97.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.443 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.387 179.597 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.4 ttp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 32.3 p -146.28 127.16 14.47 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.62 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.54 -36.43 84.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.653 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 60.1 mt -43.46 -27.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.527 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -70.38 -56.69 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.614 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.547 ' N ' HD12 ' B' ' 6' ' ' LEU . 10.4 mp -64.81 -42.7 94.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.682 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 93.6 mt -59.95 -45.97 90.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.533 -178.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -119.83 -73.67 0.64 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.454 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.43 -109.35 3.31 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -138.78 133.64 32.39 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.836 0.35 . . . . 0.0 110.498 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -157.83 100.26 1.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.396 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.496 ' OE1' ' N ' ' B' ' 13' ' ' LYS . 0.0 OUTLIER -80.74 -13.93 58.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.339 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.496 ' N ' ' OE1' ' B' ' 12' ' ' GLN . 37.8 tptt -75.89 133.28 40.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.531 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 42.5 m 43.01 74.57 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.571 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.55 -55.3 2.63 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.439 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 23.9 p -82.97 53.54 2.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.517 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.541 ' O ' ' HB3' ' B' ' 18' ' ' ALA . 11.5 p -60.63 -27.87 41.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.584 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' B' ' 17' ' ' VAL . . . 72.92 50.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.5 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -161.34 177.07 10.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.325 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -118.35 148.32 42.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.931 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -135.0 152.08 51.4 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.084 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 16.4 tp -142.77 116.18 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.462 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -115.64 103.21 10.47 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.677 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 89.8 mt -98.67 113.04 32.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.372 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 71.2 mt -103.85 119.35 52.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.788 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 80.6 mt -107.81 127.15 64.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.097 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.32 124.09 43.75 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.934 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -122.6 124.88 44.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.887 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -122.59 112.9 18.55 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.844 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -103.41 128.49 50.52 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.263 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.535 ' O ' ' N ' ' B' ' 34' ' ' GLY . . . -72.57 130.47 40.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.41 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.627 ' CD ' ' H ' ' B' ' 32' ' ' GLN . 0.1 OUTLIER -36.91 -36.63 0.12 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.842 0.354 . . . . 0.0 110.632 -179.585 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.49 -43.28 77.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.252 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' B' ' 31' ' ' ALA . . . -82.27 149.37 27.61 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.465 ' O ' ' OE2' ' A' ' 83' ' ' GLU . 7.8 pt20 -150.26 138.68 20.52 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.59 150.35 15.79 Favored Pre-proline 0 C--N 1.326 -0.44 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.617 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -37.72 -72.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.316 -1.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.81 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 p30 165.91 164.37 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -136.85 8.67 3.03 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.547 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.608 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 13.2 mt -72.85 -39.41 5.46 Favored Pre-proline 0 C--O 1.236 0.385 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.386 178.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 59.0 Cg_endo -82.52 -19.05 6.58 Favored 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.309 2.006 . . . . 0.0 111.97 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -75.83 -51.56 12.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.103 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 70.5 mt -68.78 -45.29 71.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.604 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.595 HH11 ' HG2' ' B' ' 44' ' ' ARG . 39.7 ttt-85 -56.33 -42.12 77.16 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.39 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -60.68 -51.76 68.0 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.111 -0.636 . . . . 0.0 111.096 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.556 ' O ' HG12 ' B' ' 50' ' ' VAL . . . -63.85 -29.44 70.63 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.076 0.465 . . . . 0.0 110.769 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 61.5 mt -70.08 -36.54 75.0 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.122 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 18.7 mmt -76.95 -29.7 55.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.276 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -81.54 -42.44 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.637 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.556 HG12 ' O ' ' B' ' 46' ' ' ALA . 13.5 p -64.97 -46.56 91.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.569 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.529 ' N ' HG13 ' B' ' 50' ' ' VAL . 3.9 mp -60.59 -56.01 26.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.062 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -50.76 -28.0 8.33 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.709 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -95.56 -73.37 0.59 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 111.681 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' B' ' 50' ' ' VAL . 32.9 m-85 -56.66 -27.18 58.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.017 -178.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.495 ' O ' ' O ' ' B' ' 51' ' ' LEU . 20.5 t -120.16 159.41 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.116 0.484 . . . . 0.0 110.407 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.444 ' N ' HG12 ' B' ' 55' ' ' VAL . 63.9 t30 -99.26 75.41 2.0 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.456 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 6.1 m -137.7 132.29 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.261 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.481 ' C ' ' N ' ' B' ' 60' ' ' ASP . 1.3 t -91.58 143.15 26.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.727 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.514 HD12 ' N ' ' B' ' 59' ' ' LEU . 10.9 mp -47.0 -14.64 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.412 0.445 . . . . 0.0 110.344 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' B' ' 61' ' ' ASN . 55.6 p-10 -74.46 -26.96 60.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.496 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' B' ' 60' ' ' ASP . 92.9 m-20 -94.99 16.68 15.58 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.535 ' N ' HD12 ' B' ' 62' ' ' ILE . 1.5 mp -95.38 161.03 2.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.464 ' N ' ' CG2' ' B' ' 62' ' ' ILE . 73.4 ttt180 -139.05 97.41 3.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.076 178.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.506 HG13 HH21 ' B' ' 44' ' ' ARG . 25.1 mm -83.64 126.22 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.463 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -143.11 94.46 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.782 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -91.74 145.11 24.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.404 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -150.18 102.44 3.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.003 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -106.55 157.12 17.91 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.026 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -165.93 119.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.443 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 48.31 -131.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.452 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.73 -3.85 85.66 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.518 ' SD ' ' N ' ' B' ' 73' ' ' ASP . 2.1 tpt -102.25 125.77 49.05 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.99 0.424 . . . . 0.0 110.052 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ASP . . . . . 0.518 ' N ' ' SD ' ' B' ' 72' ' ' MET . 96.7 m-20 -128.38 143.8 51.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.324 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -146.98 127.22 5.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 6.4 tt -108.14 115.81 30.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.009 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -93.6 119.77 33.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.218 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.4 tp -125.06 124.48 42.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.442 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -124.08 128.31 49.12 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.402 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.6 mp -128.85 147.29 33.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.894 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 29.1 m -115.16 111.49 21.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.56 145.7 67.97 Favored Pre-proline 0 C--O 1.236 0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.452 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' PRO . . . . . 0.411 ' HG2' ' H ' ' B' ' 83' ' ' GLU . 56.4 Cg_endo -69.31 -78.17 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.713 2.275 . . . . 0.0 112.437 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.47 ' OE2' ' O ' ' A' ' 35' ' ' GLN . 36.8 tp10 63.04 129.19 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.487 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 56.73 103.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.406 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -61.46 135.45 57.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.334 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.46 -45.25 91.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.758 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 11.5 p -79.59 136.4 23.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 48.2 tp 55.17 96.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.414 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.413 179.555 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.492 ' SD ' ' O ' ' A' ' 1' ' ' MET . 2.1 tmt? . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m -69.33 138.42 53.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.408 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.5 mt -65.53 -31.1 71.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.521 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 68.0 mt -44.5 -30.69 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.556 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 9' ' ' GLY . 80.8 mm-40 -71.78 -51.64 21.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.659 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.73 -44.13 94.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.547 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.15 -43.87 95.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.28 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.448 ' CD2' ' HE1' ' B' ' 72' ' ' MET . 86.8 m-85 -113.87 -70.78 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 110.659 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 5' ' ' GLU . . . 71.03 -157.38 53.53 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -98.83 136.85 38.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.861 0.362 . . . . 0.0 110.605 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -173.52 -167.91 0.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.634 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -65.14 141.18 58.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.428 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -121.91 138.26 54.47 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.58 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.531 ' C ' ' H ' ' A' ' 16' ' ' THR . 6.4 p -78.23 175.77 9.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.503 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.51 37.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.531 ' H ' ' C ' ' A' ' 14' ' ' THR . 35.9 m 44.08 84.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.591 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.1 m -62.95 -157.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.394 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.97 -3.41 3.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.453 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.401 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 12.4 mpt_? -87.71 -177.17 5.77 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.007 0.432 . . . . 0.0 110.413 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 19' ' ' ARG . 89.5 m-20 -134.94 155.97 49.8 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.353 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -130.71 160.71 33.51 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.093 0.473 . . . . 0.0 110.381 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.16 102.34 5.16 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.693 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -96.39 100.65 12.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.724 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 89.5 mt -102.38 108.13 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.59 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.4 mm -102.64 120.13 51.97 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.023 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 89.2 mt -108.72 133.98 52.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.322 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.19 127.3 35.55 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.518 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.473 ' OE1' ' NH2' ' A' ' 30' ' ' ARG . 20.4 tt0 -127.83 138.05 52.58 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.342 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -134.95 129.32 34.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.367 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.473 ' NH2' ' OE1' ' A' ' 28' ' ' GLN . 88.1 mtt-85 -122.22 138.33 54.52 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.966 0.412 . . . . 0.0 110.264 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.511 ' O ' ' C ' ' A' ' 32' ' ' GLN . . . -67.46 112.42 4.64 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.547 ' O ' ' C ' ' A' ' 33' ' ' GLU . 21.1 mt-30 -24.81 -74.89 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 123.663 0.602 . . . . 0.0 110.711 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.547 ' C ' ' O ' ' A' ' 32' ' ' GLN . 80.1 mm-40 -19.76 88.71 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.557 0.535 . . . . 0.0 111.658 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' GLN . . . 73.03 112.36 0.06 OUTLIER Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.888 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.438 ' C ' ' OG1' ' A' ' 36' ' ' THR . 42.2 tt0 -125.26 140.3 52.96 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.716 ' H ' ' HD2' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -173.83 -40.97 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.59 0 CA-C-O 120.924 0.393 . . . . 0.0 110.215 -178.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.716 ' HD2' ' H ' ' A' ' 36' ' ' THR . 35.1 Cg_exo -57.33 155.23 30.92 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.811 2.341 . . . . 0.0 111.455 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 39' ' ' TYR . 66.5 t0 -173.75 137.82 0.62 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.468 ' N ' ' OD1' ' A' ' 38' ' ' ASP . 98.6 m-85 -143.17 26.15 1.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.659 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.3 mp -64.57 -58.61 12.93 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.488 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 40.3 Cg_endo -67.46 -14.9 44.0 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.765 2.31 . . . . 0.0 111.883 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.4 m -76.37 -58.33 3.35 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.252 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.26 -45.03 93.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.658 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -53.09 -60.09 3.72 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -44.54 -48.44 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.676 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.86 -35.59 76.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.069 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.5 mt -66.42 -41.82 88.66 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.413 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.436 ' N ' ' SD ' ' A' ' 48' ' ' MET . 19.6 mmm -73.54 -22.31 60.13 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -80.62 -45.94 16.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.761 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 54' ' ' TYR . 33.4 m -67.45 -40.92 85.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.011 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' A' ' 55' ' ' VAL . 3.0 mp -60.36 -62.15 2.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.705 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -53.04 -24.02 8.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.557 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -94.6 -74.55 0.54 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.469 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' A' ' 50' ' ' VAL . 54.8 m-85 -62.27 -25.1 67.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.287 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.497 ' O ' ' O ' ' A' ' 51' ' ' LEU . 11.9 t -118.8 160.61 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.092 0.472 . . . . 0.0 110.839 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.452 ' N ' HG12 ' A' ' 55' ' ' VAL . 33.5 m120 -107.73 90.6 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.274 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 m -144.56 134.73 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.5 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.7 m -82.79 156.08 23.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.4 mm? -62.97 -4.74 2.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.785 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -88.15 -23.03 23.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.568 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -91.29 4.98 50.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.92 0.391 . . . . 0.0 110.476 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -96.64 154.4 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.97 0.415 . . . . 0.0 109.957 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -137.2 110.02 7.61 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 177.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.0 mm -93.8 127.95 45.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.436 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.027 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.33 96.77 2.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.106 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -98.31 153.17 18.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -155.82 102.14 2.17 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 121.267 0.556 . . . . 0.0 110.503 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -84.51 138.97 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.47 ' O ' ' O ' ' A' ' 72' ' ' MET . 42.5 tt0 -135.42 121.47 20.03 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-O 121.028 0.442 . . . . 0.0 110.314 178.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -41.05 105.34 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.5 -37.31 3.09 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.47 ' O ' ' O ' ' A' ' 69' ' ' GLN . 0.7 OUTLIER -147.06 174.02 11.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 0.0 110.524 -179.408 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -145.64 146.91 31.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.367 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.59 164.15 34.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.228 0.537 . . . . 0.0 110.256 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 tp -151.45 108.58 3.56 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.844 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -87.65 117.17 26.28 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.151 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.0 tp -126.0 126.35 44.16 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.53 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -128.64 134.66 48.6 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.854 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.7 mp -132.07 151.45 35.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 CA-C-O 120.87 0.367 . . . . 0.0 110.134 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.3 m -114.95 112.77 23.2 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.103 0.478 . . . . 0.0 110.143 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mt -85.99 136.04 36.72 Favored Pre-proline 0 C--O 1.246 0.874 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.694 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.23 162.11 39.25 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 122.742 2.295 . . . . 0.0 112.143 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -115.52 26.53 9.98 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.052 0.453 . . . . 0.0 110.273 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -68.24 132.17 46.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.423 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -68.3 130.57 43.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.453 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -146.21 -21.84 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.561 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.9 t -126.34 132.49 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.951 0.405 . . . . 0.0 110.335 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 88' ' ' LEU . 3.7 mm? -77.77 140.84 39.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.826 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 117.907 -1.045 . . . . 0.0 110.493 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.46 ' SD ' ' O ' ' B' ' 1' ' ' MET . 2.1 tmt? . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 27.0 m -68.17 138.31 55.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 55.4 mt -65.91 -31.03 71.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.685 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 64.2 mt -44.36 -30.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.719 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' B' ' 9' ' ' GLY . 80.7 mm-40 -71.72 -52.38 18.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.63 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 50.0 mt -63.2 -44.16 96.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.498 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.24 -43.68 95.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.258 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' PHE . . . . . 0.456 ' CD2' ' CE ' ' A' ' 72' ' ' MET . 85.4 m-85 -113.97 -70.67 0.79 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.623 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' B' ' 5' ' ' GLU . . . 71.08 -157.84 53.6 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -98.98 135.99 39.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.882 0.372 . . . . 0.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -172.56 -167.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.687 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.78 140.98 58.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.371 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -121.79 137.97 54.56 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.563 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.537 ' C ' ' H ' ' B' ' 16' ' ' THR . 6.9 p -77.94 175.39 10.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.541 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.18 36.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.574 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.537 ' H ' ' C ' ' B' ' 14' ' ' THR . 39.0 m 44.79 85.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.541 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.7 m -64.36 -155.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.448 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.415 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . -134.0 -4.39 2.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.495 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -86.66 -176.75 5.94 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.971 0.415 . . . . 0.0 110.397 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -135.22 156.14 49.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.352 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -131.13 160.23 35.33 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.118 0.485 . . . . 0.0 110.42 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.02 102.33 5.18 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.573 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -96.45 100.52 12.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.758 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 87.8 mt -102.18 108.09 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.7 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 20.0 mm -102.36 119.7 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.973 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 91.5 mt -108.37 133.29 53.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.427 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.53 129.0 40.48 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.35 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.458 ' OE1' ' NH2' ' B' ' 30' ' ' ARG . 19.4 tt0 -129.98 137.36 50.26 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.326 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -134.42 129.81 35.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.355 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.458 ' NH2' ' OE1' ' B' ' 28' ' ' GLN . 87.1 mtt-85 -122.21 139.5 53.69 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.546 ' O ' ' C ' ' B' ' 32' ' ' GLN . . . -68.53 111.95 5.03 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.246 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.546 ' C ' ' O ' ' B' ' 31' ' ' ALA . 24.0 mt-30 -21.0 -77.21 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.783 0.677 . . . . 0.0 110.914 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.527 ' C ' ' O ' ' B' ' 32' ' ' GLN . 81.0 mm-40 -20.48 86.71 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.862 0.726 . . . . 0.0 111.43 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' B' ' 32' ' ' GLN . . . 73.01 126.58 0.1 OUTLIER Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 -177.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -146.01 62.29 1.24 Allowed 'General case' 0 C--O 1.222 -0.374 0 CA-C-O 120.972 0.415 . . . . 0.0 111.613 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' THR . . . . . 0.69 ' N ' ' CD ' ' B' ' 37' ' ' PRO . 0.2 OUTLIER -92.46 -38.61 0.36 Allowed Pre-proline 0 C--N 1.311 -1.095 0 CA-C-O 120.803 0.335 . . . . 0.0 110.718 179.127 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.69 ' CD ' ' N ' ' B' ' 36' ' ' THR . 49.2 Cg_exo -53.1 158.35 6.97 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.706 2.271 . . . . 0.0 112.231 -177.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' B' ' 39' ' ' TYR . 66.9 t0 -177.18 140.2 0.29 Allowed 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.52 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.525 ' N ' ' OD1' ' B' ' 38' ' ' ASP . 98.2 m-85 -147.86 31.46 0.86 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.586 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 2.5 mp -69.39 -57.52 6.99 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.624 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 43.0 Cg_endo -68.68 -13.8 37.91 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.803 2.335 . . . . 0.0 111.796 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.8 m -76.15 -57.89 3.6 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.59 -45.91 88.23 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.763 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -51.46 -60.73 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.71 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -44.45 -48.87 10.01 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.841 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.56 75.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.166 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.89 -41.66 86.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.375 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 23.0 mmm -73.22 -22.38 60.44 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -80.78 -45.7 16.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.875 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' B' ' 54' ' ' TYR . 34.0 m -67.46 -41.15 85.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.037 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.508 ' O ' ' O ' ' B' ' 55' ' ' VAL . 2.9 mp -60.39 -61.97 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.788 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.1 t -53.16 -24.14 9.99 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.706 -0.397 . . . . 0.0 110.528 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -94.47 -74.39 0.54 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.482 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.503 ' N ' ' O ' ' B' ' 50' ' ' VAL . 53.1 m-85 -62.29 -25.35 67.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.241 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' B' ' 51' ' ' LEU . 13.2 t -118.84 160.74 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.23 0.538 . . . . 0.0 110.745 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.457 ' N ' HG12 ' B' ' 55' ' ' VAL . 33.1 m120 -107.67 90.65 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.401 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 m -144.54 134.62 19.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.46 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.403 ' C ' ' H ' ' B' ' 60' ' ' ASP . 72.3 m -83.12 155.35 23.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.581 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' B' ' 59' ' ' LEU . 4.5 mm? -63.02 -3.16 1.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' B' ' 58' ' ' SER . 98.1 m-20 -89.27 -22.95 22.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.616 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -91.71 4.35 52.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.584 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.467 ' CG2' ' CD1' ' B' ' 64' ' ' ILE . 1.7 mp -94.81 156.28 3.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.111 0.481 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.422 ' N ' ' CG2' ' B' ' 62' ' ' ILE . 34.3 mtp180 -139.36 106.63 5.51 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.254 177.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.467 ' CD1' ' CG2' ' B' ' 62' ' ' ILE . 1.6 mp -93.3 129.16 44.17 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.056 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.83 98.26 3.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.458 177.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -97.38 152.75 18.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.658 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -155.59 102.16 2.21 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.287 0.565 . . . . 0.0 110.428 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -84.72 139.29 32.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.954 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.454 ' O ' ' O ' ' B' ' 72' ' ' MET . 42.8 tt0 -135.89 120.35 18.09 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.295 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -40.17 105.41 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.38 -37.06 3.18 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.454 ' O ' ' O ' ' B' ' 69' ' ' GLN . 0.8 OUTLIER -147.82 172.94 13.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.915 0.388 . . . . 0.0 110.581 -179.472 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.51 146.6 32.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.457 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 m -133.97 164.38 34.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.237 0.541 . . . . 0.0 110.305 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 tp -151.73 108.29 3.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.791 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -87.34 116.89 25.74 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.371 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 14.8 tp -125.22 127.89 47.46 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.451 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -130.19 134.63 47.42 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.642 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 3.8 mp -132.11 151.83 35.67 Favored 'Isoleucine or valine' 0 C--N 1.34 0.185 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 13.8 m -115.7 111.35 20.46 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.206 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 mt -84.91 135.92 39.34 Favored Pre-proline 0 C--O 1.243 0.743 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.669 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.22 162.26 38.99 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 C-N-CA 122.646 2.231 . . . . 0.0 112.152 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' B' ' 18' ' ' ALA . 21.8 tt0 -115.75 27.11 9.52 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.105 0.479 . . . . 0.0 110.256 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -68.75 131.88 45.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.458 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -67.78 130.38 42.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.467 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -145.99 -21.75 0.45 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.491 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 64.7 t -126.42 132.97 69.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 120.962 0.411 . . . . 0.0 110.346 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.596 HD22 ' N ' ' B' ' 88' ' ' LEU . 3.7 mm? -78.71 138.82 38.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.832 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.46 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ptm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -68.03 150.39 48.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.458 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 3' ' ' LEU . 10.3 mp -62.66 -37.96 88.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.404 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 37.4 mm -42.66 -29.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.204 0.526 . . . . 0.0 110.527 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -79.97 -48.53 13.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.928 0.394 . . . . 0.0 111.416 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.575 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.5 tt -74.46 -55.78 5.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.282 0.563 . . . . 0.0 111.466 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.861 HD11 ' CD2' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -55.53 -32.48 62.98 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.575 -179.09 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.861 ' CD2' HD11 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -115.68 -83.0 0.62 Allowed 'General case' 0 C--N 1.343 0.284 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 48.85 13.66 0.33 Allowed Glycine 0 CA--C 1.517 0.173 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.455 ' N ' ' C ' ' A' ' 8' ' ' PHE . 17.2 tpp180 -112.38 116.12 29.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.84 0.353 . . . . 0.0 110.538 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -168.02 36.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.687 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -57.77 -41.07 81.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.483 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -167.96 82.45 0.18 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.448 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.9 m -122.71 125.79 46.24 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.347 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.26 162.58 13.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.529 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 p -54.2 105.46 0.15 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.427 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.639 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 14.8 p -66.89 -12.03 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.638 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . 79.79 -44.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -167.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.235 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 21' ' ' ARG . 42.1 t0 -139.75 138.2 35.71 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.179 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.496 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 97.2 mtt180 -120.22 156.93 30.17 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.346 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.5 mt -133.32 109.49 9.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.604 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.517 HE21 HD11 ' A' ' 25' ' ' ILE . 59.0 tt0 -101.61 94.78 6.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.764 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.6 mt -99.91 112.92 33.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.023 0.439 . . . . 0.0 111.021 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.517 HD11 HE21 ' A' ' 23' ' ' GLN . 90.2 mt -109.39 125.24 66.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.779 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.5 mt -114.09 135.61 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.693 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.17 93.97 3.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.899 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.419 HE21 ' HB2' ' A' ' 73' ' ' ASP . 14.0 pt20 -96.45 141.17 30.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.556 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -128.48 109.11 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.504 ' NH1' ' O ' ' A' ' 37' ' ' PRO . 48.0 mtm180 -104.82 139.16 39.99 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -178.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -77.3 112.24 13.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.171 179.421 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -38.79 -27.49 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.796 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' ALA . 82.8 tt0 -69.56 147.81 50.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.357 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.75 -102.14 2.78 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -161.62 -65.51 0.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.906 0.384 . . . . 0.0 110.233 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.411 ' O ' ' OG1' ' A' ' 36' ' ' THR . 4.8 p 50.0 93.15 0.05 OUTLIER Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.718 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.504 ' O ' ' NH1' ' A' ' 30' ' ' ARG . 59.3 Cg_endo -79.91 -179.74 5.55 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.637 2.224 . . . . 0.0 112.005 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -58.48 140.94 53.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.55 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.473 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 55.2 m-85 -128.47 -9.8 5.14 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.64 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 3.3 mp -67.29 -42.81 41.18 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.554 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 26.8 Cg_exo -62.58 -24.46 75.15 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.638 2.225 . . . . 0.0 111.884 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.2 m -77.77 -55.16 5.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.9 mt -65.45 -44.08 88.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -59.4 -45.22 92.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.834 0.35 . . . . 0.0 110.717 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -61.61 -47.94 83.17 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.449 -0.501 . . . . 0.0 111.083 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -60.35 -36.35 77.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.946 0.403 . . . . 0.0 110.726 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.9 mt -71.5 -41.89 68.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.235 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.1 mmt -65.29 -34.12 77.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.701 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -81.2 -43.17 19.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.028 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 46' ' ' ALA . 48.3 t -64.55 -48.75 83.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.577 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 55' ' ' VAL . 71.4 mt -59.2 -55.7 31.63 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.2 t -51.84 -28.27 15.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.801 0.334 . . . . 0.0 110.691 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -93.33 -68.75 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.266 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 50' ' ' VAL . 31.9 m-85 -61.78 -24.29 66.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 51' ' ' LEU . 15.2 t -123.6 156.77 30.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.932 0.396 . . . . 0.0 110.495 -179.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -101.34 92.91 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.644 -179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 m -149.75 136.42 12.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.39 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.487 ' C ' ' H ' ' A' ' 60' ' ' ASP . 43.0 t -87.47 151.04 23.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.511 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.495 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.2 mm? -58.9 -2.93 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.431 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' A' ' 58' ' ' SER . 35.8 t70 -88.65 -26.23 21.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -96.8 13.58 28.1 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.703 0.287 . . . . 0.0 110.432 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 26.5 mm -97.74 116.79 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 CA-C-O 121.188 0.518 . . . . 0.0 111.457 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.453 ' O ' HD12 ' A' ' 77' ' ' LEU . 75.7 ttt180 -96.6 101.77 13.44 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.365 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 tp -94.24 135.68 27.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.047 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -146.88 95.9 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.202 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -91.28 148.46 22.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.672 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -153.21 143.87 22.68 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.484 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -139.68 147.68 41.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.823 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -158.02 94.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.182 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 71' ' ' GLY . 20.7 t0 68.74 -152.68 0.15 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.511 ' H ' ' CG ' ' A' ' 70' ' ' ASP . . . -65.11 4.35 1.8 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.673 ' SD ' ' CD2' ' B' ' 8' ' ' PHE . 51.3 ttm -112.98 133.12 55.09 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.7 0.286 . . . . 0.0 110.626 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.419 ' HB2' HE21 ' A' ' 28' ' ' GLN . 96.7 m-20 -130.78 148.54 52.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.112 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.5 m -135.03 162.87 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.496 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.4 tp -147.16 107.39 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.457 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -94.65 122.45 37.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.135 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 63' ' ' ARG . 54.7 tp -131.54 126.5 35.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.819 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -123.74 118.78 27.99 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.46 138.32 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.011 0.434 . . . . 0.0 110.165 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.9 m -107.12 107.08 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.758 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.6 mp -81.01 141.39 50.58 Favored Pre-proline 0 C--O 1.242 0.672 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.429 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.54 -173.85 0.92 Allowed 'Trans proline' 0 N--CA 1.49 1.269 0 C-N-CA 122.792 2.328 . . . . 0.0 112.125 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -87.87 -12.14 45.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.131 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.443 ' N ' ' OE1' ' A' ' 83' ' ' GLU . 93.6 mt-30 55.9 -84.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.482 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 83' ' ' GLU . 69.0 mmtt -47.24 104.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.664 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -171.97 -28.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.708 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.2 t -136.38 -18.13 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.582 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 88' ' ' LEU . 10.7 mp -63.21 -41.28 99.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.446 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.449 179.868 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' B' ' 1' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.1 p -64.8 149.47 49.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.516 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.561 ' N ' HD12 ' B' ' 3' ' ' LEU . 10.0 mp -62.59 -38.06 88.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.312 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.433 ' O ' ' HB2' ' B' ' 8' ' ' PHE . 35.7 mm -42.4 -29.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.177 0.513 . . . . 0.0 110.602 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -79.87 -48.77 12.94 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.439 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.573 ' O ' HD23 ' B' ' 6' ' ' LEU . 2.4 tt -74.01 -56.52 4.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.245 0.545 . . . . 0.0 111.503 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.851 HD11 ' CD2' ' B' ' 8' ' ' PHE . 0.5 OUTLIER -54.8 -31.87 59.59 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.6 -179.077 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 8' ' ' PHE . . . . . 0.851 ' CD2' HD11 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -116.1 -82.71 0.62 Allowed 'General case' 0 C--N 1.342 0.26 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 48.24 16.93 0.57 Allowed Glycine 0 CA--C 1.518 0.241 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' B' ' 8' ' ' PHE . 17.3 tpp180 -115.57 116.23 27.79 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.919 0.39 . . . . 0.0 110.517 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -168.39 36.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.719 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -58.78 -41.25 86.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.61 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -167.23 82.19 0.22 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.444 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 99.8 m -123.04 126.41 47.05 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.3 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.34 163.03 13.16 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.421 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 25.2 p -54.34 105.59 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.442 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.639 ' O ' ' HB3' ' B' ' 18' ' ' ALA . 14.9 p -66.82 -12.75 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.677 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' B' ' 17' ' ' VAL . . . 80.37 -44.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.466 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.23 -167.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.165 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' B' ' 21' ' ' ARG . 41.9 t0 -139.16 137.53 36.15 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.291 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.509 ' N ' ' OD1' ' B' ' 20' ' ' ASP . 96.8 mtt180 -119.37 157.57 27.9 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.244 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.1 mt -133.85 110.08 9.52 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.459 HE21 HD11 ' B' ' 25' ' ' ILE . 58.8 tt0 -101.93 94.97 6.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.705 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 71.9 mt -100.21 112.35 32.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.006 0.432 . . . . 0.0 111.067 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ILE . . . . . 0.459 HD11 HE21 ' B' ' 23' ' ' GLN . 88.6 mt -109.26 125.03 66.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.797 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 95.2 mt -113.88 136.23 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.712 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.81 93.78 3.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.905 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' B' ' 73' ' ' ASP . 14.0 pt20 -96.45 140.98 30.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.511 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -128.01 109.61 11.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.769 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.529 ' NH1' ' O ' ' B' ' 37' ' ' PRO . 46.4 mtm180 -105.5 139.92 39.38 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.722 -178.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' B' ' 33' ' ' GLU . . . -78.21 112.15 14.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.268 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' B' ' 31' ' ' ALA . 15.7 pt20 -38.32 -26.94 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.716 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' B' ' 31' ' ' ALA . 80.1 tt0 -69.72 149.23 48.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.437 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.02 -102.42 2.68 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -160.97 -66.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.898 0.38 . . . . 0.0 110.104 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' THR . . . . . 0.454 ' O ' ' OG1' ' B' ' 36' ' ' THR . 3.2 p 51.22 92.63 0.06 OUTLIER Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.843 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.529 ' O ' ' NH1' ' B' ' 30' ' ' ARG . 60.2 Cg_endo -79.37 -179.48 5.43 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.61 2.207 . . . . 0.0 111.959 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -59.57 140.14 56.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.465 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.452 ' CD2' ' O ' ' B' ' 37' ' ' PRO . 56.2 m-85 -127.21 -9.62 5.86 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.582 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 3.6 mp -66.95 -43.5 47.73 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.457 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 27.1 Cg_exo -62.22 -24.56 76.24 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.53 2.154 . . . . 0.0 112.116 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 86.9 m -77.49 -53.91 7.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.07 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.0 mt -66.91 -44.06 81.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.418 ' HD2' HD11 ' B' ' 64' ' ' ILE . 58.9 ttp180 -59.54 -44.24 93.29 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.85 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -62.2 -47.93 82.27 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.042 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.498 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -60.74 -36.09 78.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.932 0.396 . . . . 0.0 110.806 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.84 -42.16 67.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.24 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 18.4 mmt -65.33 -33.73 76.66 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.194 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -81.49 -43.61 18.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 46' ' ' ALA . 49.7 t -64.37 -48.69 84.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.525 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' B' ' 55' ' ' VAL . 73.5 mt -59.09 -55.5 34.27 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.54 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 9.2 t -52.03 -28.23 16.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.675 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -93.43 -69.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.225 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' B' ' 50' ' ' VAL . 32.0 m-85 -61.7 -24.23 66.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.468 ' O ' ' O ' ' B' ' 51' ' ' LEU . 14.5 t -123.39 156.65 29.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.913 0.387 . . . . 0.0 110.532 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -101.3 93.26 5.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.595 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 4.2 m -149.83 135.79 11.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.32 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.525 ' C ' ' H ' ' B' ' 60' ' ' ASP . 41.6 t -87.42 147.84 25.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.433 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.483 HD22 ' N ' ' B' ' 59' ' ' LEU . 4.2 mm? -55.76 -2.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.703 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASP . . . . . 0.525 ' H ' ' C ' ' B' ' 58' ' ' SER . 38.7 t70 -88.34 -23.69 23.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.531 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -99.47 11.93 37.79 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.629 0.252 . . . . 0.0 110.593 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.418 HD13 ' O ' ' B' ' 58' ' ' SER . 1.0 OUTLIER -95.54 114.4 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 120.996 0.427 . . . . 0.0 110.459 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.467 ' O ' HD12 ' B' ' 77' ' ' LEU . 74.7 ttt180 -94.67 101.37 13.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.271 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.418 HD11 ' HD2' ' B' ' 44' ' ' ARG . 2.4 tp -93.54 134.99 29.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.5 m -146.23 95.77 2.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.109 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -91.18 148.69 22.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.714 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -153.29 143.87 22.59 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.509 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -139.63 147.19 40.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.685 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -157.57 95.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.261 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.504 ' CG ' ' H ' ' B' ' 71' ' ' GLY . 20.5 t0 67.83 -151.96 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.543 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLY . . . . . 0.504 ' H ' ' CG ' ' B' ' 70' ' ' ASP . . . -65.6 4.42 2.16 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.619 ' SD ' ' CE2' ' A' ' 8' ' ' PHE . 9.0 tpp -112.9 133.96 54.63 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-O 120.762 0.315 . . . . 0.0 110.708 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ASP . . . . . 0.433 ' HB2' HE21 ' B' ' 28' ' ' GLN . 96.3 m-20 -131.46 146.74 52.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.153 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.422 HG11 ' CD1' ' A' ' 4' ' ' ILE . 6.4 m -133.86 161.82 40.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.579 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 43.3 tp -146.61 108.02 4.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.602 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -95.18 123.94 38.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.084 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.467 HD12 ' O ' ' B' ' 63' ' ' ARG . 53.0 tp -133.0 125.61 30.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.799 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -122.56 119.08 29.8 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.867 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.52 138.39 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.023 0.44 . . . . 0.0 110.308 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 91.0 m -107.67 106.87 17.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.782 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 mp -80.92 141.88 51.5 Favored Pre-proline 0 C--O 1.241 0.619 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.322 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.07 -174.24 1.11 Allowed 'Trans proline' 0 C--N 1.317 -1.122 0 C-N-CA 122.895 2.396 . . . . 0.0 112.179 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' B' ' 85' ' ' LYS . 0.2 OUTLIER -87.44 -11.15 49.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.164 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 84' ' ' GLN . . . . . 0.417 ' N ' ' OE1' ' B' ' 83' ' ' GLU . 90.6 mt-30 55.08 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.582 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' B' ' 83' ' ' GLU . 68.3 mmtt -48.72 106.49 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.567 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -173.33 -29.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.596 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 26.4 t -135.26 -17.93 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.509 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.503 ' N ' HD12 ' B' ' 88' ' ' LEU . 10.9 mp -63.47 -41.21 98.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.517 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.479 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 mtm . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 t -69.82 144.9 52.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.622 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 3' ' ' LEU . 10.3 mp -71.08 -28.32 64.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.694 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.0 mt -43.29 -28.71 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -72.15 -56.57 5.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.593 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 6' ' ' LEU . 9.5 mp -63.39 -44.06 95.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.686 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.4 mt -59.94 -45.62 92.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.566 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.587 ' CE1' ' SD ' ' B' ' 72' ' ' MET . 47.7 m-85 -120.27 -78.97 0.6 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.48 -57.6 2.47 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -73.62 141.39 46.56 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.927 0.394 . . . . 0.0 110.148 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.669 ' O ' ' N ' ' A' ' 13' ' ' LYS . 15.7 ptmt -163.71 14.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.55 ' O ' ' C ' ' A' ' 13' ' ' LYS . 88.5 mt-30 -39.22 82.21 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.565 0 O-C-N 123.775 0.672 . . . . 0.0 110.455 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.669 ' N ' ' O ' ' A' ' 11' ' ' LYS . 83.8 tttt 8.33 86.69 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.338 1.024 . . . . 0.0 111.357 -178.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.515 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.8 t -76.89 -0.05 22.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.255 -178.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 71.49 34.6 1.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.62 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.447 ' O ' ' O ' ' A' ' 15' ' ' ALA . 8.4 p 58.4 123.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.692 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.645 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 14.8 p -69.44 -26.91 32.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.578 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . 80.1 31.31 0.22 Allowed 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.726 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.558 ' H ' HG13 ' A' ' 17' ' ' VAL . 3.1 mmt-85 -158.19 172.59 18.11 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.253 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.32 137.53 52.37 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.738 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -134.6 158.2 44.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.541 -179.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.99 110.07 5.62 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.611 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -102.99 102.12 12.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.184 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.8 mt -102.6 112.68 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 120.912 0.387 . . . . 0.0 110.656 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.04 125.24 56.24 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.5 mt -112.0 131.28 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.498 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -127.35 108.62 11.0 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.732 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -103.66 115.95 31.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.684 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -115.0 116.73 28.93 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.658 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -120.57 136.99 54.64 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.049 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -71.59 115.2 10.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.474 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -41.27 -19.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' ALA . 51.3 tp10 -38.9 -79.6 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.7 -167.46 0.35 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.633 ' O ' ' OG1' ' A' ' 36' ' ' THR . 50.2 mt-30 -81.55 20.8 0.86 Allowed 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.707 -0.247 . . . . 0.0 110.903 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.633 ' OG1' ' O ' ' A' ' 35' ' ' GLN . 17.8 p 60.68 79.47 0.28 Allowed Pre-proline 0 C--N 1.316 -0.881 0 O-C-N 123.518 0.511 . . . . 0.0 111.88 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -80.85 113.41 2.77 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 122.68 2.253 . . . . 0.0 110.877 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -107.77 153.11 23.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.048 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -142.05 30.32 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.291 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 2.6 mt -56.55 -61.04 7.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.327 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 20.0 Cg_endo -60.13 -14.6 29.53 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.544 2.163 . . . . 0.0 111.711 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.1 m -73.83 -55.06 6.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.87 -49.98 58.99 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.783 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.518 ' O ' ' SD ' ' A' ' 48' ' ' MET . 70.7 ttp85 -48.96 -56.31 9.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.802 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -50.1 -49.98 49.85 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.718 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -57.42 -36.16 71.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 0.0 110.434 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.52 -41.54 75.88 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.445 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -62.86 -31.37 72.39 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.574 -179.068 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -85.77 -41.4 15.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.198 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 54' ' ' TYR . 55.5 t -65.67 -47.94 84.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.497 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 55' ' ' VAL . 81.9 mt -60.81 -56.47 20.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.054 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.0 t -53.08 -23.54 8.08 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.878 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -96.94 -71.42 0.68 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.522 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 50' ' ' VAL . 46.0 m-85 -61.19 -27.35 68.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.354 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' A' ' 51' ' ' LEU . 19.7 t -116.96 158.79 17.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.009 0.433 . . . . 0.0 110.435 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.443 ' N ' HG12 ' A' ' 55' ' ' VAL . 91.6 m-20 -99.27 72.62 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.597 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.0 m -138.17 133.86 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.412 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.0 p -89.55 166.84 13.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.442 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.77 -15.67 63.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.534 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -82.44 -25.69 33.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -97.88 8.1 45.27 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 120.799 0.333 . . . . 0.0 110.514 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.3 mt -102.52 122.36 54.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.075 0.464 . . . . 0.0 110.518 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -93.32 134.58 35.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.782 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.4 mt -131.34 137.46 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.638 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.423 ' OG ' ' OE2' ' A' ' 67' ' ' GLU . 9.3 t -152.37 128.13 10.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.335 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -115.78 150.85 36.25 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.575 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 55.7 mp0 -144.02 101.35 3.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.374 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -82.0 133.09 35.27 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.215 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.449 ' O ' ' O ' ' A' ' 72' ' ' MET . 39.6 tp60 -165.51 117.76 1.13 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.853 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.547 ' C ' ' H ' ' A' ' 72' ' ' MET . 96.4 m-20 54.38 -170.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.194 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.93 25.08 0.41 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.593 ' SD ' ' CE1' ' B' ' 8' ' ' PHE . 42.7 ttp -138.61 117.28 12.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.888 0.375 . . . . 0.0 110.058 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -102.33 150.99 22.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.355 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.433 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 60.0 t -133.69 120.05 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.335 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tp -109.13 108.27 18.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.072 0.463 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -85.86 109.74 18.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.866 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 tp -116.26 128.19 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.656 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -133.4 126.26 30.86 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.415 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.8 mp -120.2 143.4 32.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -111.7 107.28 16.32 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.9 mp -78.43 133.83 63.1 Favored Pre-proline 0 C--O 1.242 0.704 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.509 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -74.25 -164.6 0.22 Allowed 'Trans proline' 0 N--CA 1.487 1.102 0 C-N-CA 122.769 2.313 . . . . 0.0 112.057 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -135.97 141.4 44.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.496 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -77.69 122.17 24.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.336 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -90.01 -77.9 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.76 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -91.17 139.67 30.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.463 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.5 t -106.52 -40.54 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.474 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 88' ' ' LEU . 8.6 mp -71.9 146.74 47.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.483 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.474 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.7 mtp . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t -69.84 146.08 51.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.611 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.544 ' N ' HD12 ' B' ' 3' ' ' LEU . 10.3 mp -72.19 -27.88 62.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.61 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.405 ' H ' HG13 ' B' ' 4' ' ' ILE . 60.7 mt -43.66 -28.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.708 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -72.05 -56.36 5.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.727 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.55 ' N ' HD12 ' B' ' 6' ' ' LEU . 9.7 mp -63.29 -44.06 96.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.686 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 86.0 mt -60.28 -45.85 91.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.669 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' PHE . . . . . 0.593 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 48.4 m-85 -120.57 -81.57 0.64 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.781 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.03 -54.81 3.09 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -76.57 138.99 40.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.94 0.4 . . . . 0.0 110.408 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.706 ' O ' ' N ' ' B' ' 13' ' ' LYS . 5.3 ptpt -161.96 19.22 0.1 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.778 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLN . . . . . 0.535 ' O ' ' C ' ' B' ' 13' ' ' LYS . 88.4 mt-30 -42.01 78.25 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.456 0 O-C-N 123.95 0.781 . . . . 0.0 110.425 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.706 ' N ' ' O ' ' B' ' 11' ' ' LYS . 82.9 tttt 12.7 85.96 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 O-C-N 124.243 0.965 . . . . 0.0 111.245 -178.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.486 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 3.5 t -76.91 2.45 14.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.297 -178.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 69.25 35.07 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.602 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.455 ' O ' ' O ' ' B' ' 15' ' ' ALA . 10.3 p 57.98 123.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.644 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.608 ' O ' ' HB3' ' B' ' 18' ' ' ALA . 14.4 p -69.68 -26.5 30.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.802 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' B' ' 17' ' ' VAL . . . 77.66 36.29 0.27 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.348 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.471 ' H ' HG13 ' B' ' 17' ' ' VAL . 2.0 tpt180 -164.18 167.04 20.55 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.071 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.36 139.4 47.95 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 116.341 -0.391 . . . . 0.0 109.965 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.425 ' HD3' HD22 ' B' ' 78' ' ' ASN . 43.4 ttm180 -136.06 157.59 46.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.559 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.31 111.59 6.53 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.735 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -104.45 101.37 11.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.109 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 83.2 mt -101.85 112.87 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.976 0.417 . . . . 0.0 110.826 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.04 124.75 56.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.772 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 94.8 mt -111.79 131.39 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.485 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -127.25 108.7 11.1 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.782 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.402 HE22 ' HA ' ' B' ' 38' ' ' ASP . 32.1 tt0 -103.6 117.09 33.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.554 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -116.42 115.3 25.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 32.1 ptt-85 -118.07 136.08 53.79 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' B' ' 33' ' ' GLU . . . -71.12 114.71 9.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.496 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' B' ' 33' ' ' GLU . 15.3 pt20 -41.97 -20.14 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' B' ' 31' ' ' ALA . 53.7 tp10 -33.92 -88.39 0.0 OUTLIER 'General case' 0 C--N 1.339 0.127 0 O-C-N 123.325 0.391 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' B' ' 33' ' ' GLU . . . -54.4 -163.28 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.718 ' O ' HG23 ' B' ' 36' ' ' THR . 72.3 mt-30 -66.33 -60.79 2.44 Favored 'General case' 0 CA--C 1.497 -1.09 0 CA-C-O 118.096 -0.954 . . . . 0.0 109.411 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' THR . . . . . 0.718 HG23 ' O ' ' B' ' 35' ' ' GLN . 1.0 OUTLIER 144.4 77.88 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.464 0 O-C-N 125.311 1.632 . . . . 0.0 110.323 -179.505 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -77.14 106.49 2.25 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.264 1.976 . . . . 0.0 112.085 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.402 ' HA ' HE22 ' B' ' 28' ' ' GLN . 52.7 p-10 -106.27 147.71 28.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.546 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -137.63 31.8 2.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.274 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 2.5 mt -57.88 -61.12 7.99 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 21.6 Cg_endo -60.08 -15.2 32.39 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.639 2.226 . . . . 0.0 111.835 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 8.4 m -73.48 -54.85 7.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 mt -68.39 -49.96 56.35 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.694 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.521 ' O ' ' SD ' ' B' ' 48' ' ' MET . 70.6 ttp85 -48.71 -56.44 8.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.718 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -50.0 -50.75 46.12 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.698 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.438 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -56.84 -36.25 69.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.177 0.513 . . . . 0.0 110.504 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.23 -41.75 76.59 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.43 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' B' ' 48' ' ' MET . 0.0 OUTLIER -62.88 -31.2 72.19 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.614 -179.05 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -85.6 -41.72 14.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.175 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' B' ' 54' ' ' TYR . 53.7 t -65.34 -47.88 85.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.415 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' B' ' 55' ' ' VAL . 84.0 mt -61.03 -56.11 24.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.305 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 29.5 t -53.03 -23.52 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.793 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -97.48 -71.1 0.7 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.477 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' B' ' 50' ' ' VAL . 44.6 m-85 -61.16 -27.51 68.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.3 -178.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.448 HG12 ' N ' ' B' ' 56' ' ' ASN . 18.8 t -117.06 159.08 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.961 0.41 . . . . 0.0 110.456 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.448 ' N ' HG12 ' B' ' 55' ' ' VAL . 91.2 m-20 -99.45 72.46 1.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.601 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 m -138.09 133.88 44.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.378 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 87.5 p -89.75 167.34 12.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.392 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.0 mt -68.12 -15.46 63.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.443 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -82.67 -26.31 32.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -97.27 8.19 45.05 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 120.72 0.295 . . . . 0.0 110.411 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 12.7 mt -102.73 122.29 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.989 0.423 . . . . 0.0 110.59 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -93.48 135.16 35.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.626 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 96.2 mt -131.95 137.53 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.814 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.5 t -152.15 130.9 12.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.28 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -118.53 150.56 39.43 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.474 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' B' ' 67' ' ' GLU . 55.3 mp0 -143.97 102.55 3.91 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.105 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -83.24 131.85 35.08 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.933 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.46 ' O ' ' O ' ' B' ' 72' ' ' MET . 0.2 OUTLIER -161.31 123.1 2.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.206 178.614 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' B' ' 72' ' ' MET . 95.5 m-20 48.54 -166.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.93 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.23 25.71 0.85 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.587 ' SD ' ' CE1' ' A' ' 8' ' ' PHE . 42.5 ttp -138.7 115.87 11.03 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.877 0.37 . . . . 0.0 110.251 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -100.92 151.79 21.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.432 ' O ' ' OE1' ' B' ' 67' ' ' GLU . 61.2 t -134.38 120.04 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.246 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tp -109.34 108.66 19.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -85.88 110.34 19.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.935 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 tp -116.84 128.59 55.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.569 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ASN . . . . . 0.425 HD22 ' HD3' ' B' ' 21' ' ' ARG . 42.5 t-20 -133.76 127.14 32.13 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 3.8 mp -121.35 143.68 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 1.5 m -111.93 106.92 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.457 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.9 mp -77.89 133.4 65.83 Favored Pre-proline 0 C--O 1.243 0.76 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.394 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.68 -163.56 0.17 Allowed 'Trans proline' 0 N--CA 1.487 1.129 0 C-N-CA 122.664 2.243 . . . . 0.0 112.178 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.404 ' CD ' ' NH1' ' B' ' 19' ' ' ARG . 16.5 pt-20 -136.77 141.24 42.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.443 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -77.92 121.45 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.339 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -89.39 -78.32 0.36 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.825 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -90.65 138.78 31.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.608 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.8 t -105.38 -41.61 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.457 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.59 ' N ' HD12 ' B' ' 88' ' ' LEU . 9.0 mp -70.4 148.81 47.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.547 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.452 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.1 mtp . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.439 ' OG ' ' OE1' ' A' ' 5' ' ' GLU . 11.3 p -71.29 129.19 38.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.41 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.6 mt -66.22 -36.02 81.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 56.4 mt -53.65 -28.6 16.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.665 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 9' ' ' GLY . 8.0 mp0 -77.48 -51.39 10.82 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.51 -41.53 90.13 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.981 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -64.22 -41.0 97.21 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.667 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.589 ' CE2' ' SD ' ' B' ' 72' ' ' MET . 99.3 m-85 -119.99 36.9 4.37 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.834 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 5' ' ' GLU . . . -112.36 62.35 0.3 Allowed Glycine 0 N--CA 1.472 1.046 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.8 ttt-85 -150.68 -51.7 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.843 0.354 . . . . 0.0 110.47 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.26 162.45 37.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.493 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -170.61 68.68 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -74.57 -176.24 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.56 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.3 m -60.45 127.45 31.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.437 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -171.65 95.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.263 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.5 m -128.09 130.65 48.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.303 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.502 ' O ' ' HB1' ' B' ' 31' ' ' ALA . 34.1 m -137.34 -167.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.164 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -121.12 9.31 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.64 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -106.89 -174.68 2.59 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.505 0.669 . . . . 0.0 110.542 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.91 164.91 30.52 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.026 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.2 mtm-85 -135.96 155.23 50.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.454 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.99 99.44 4.43 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.301 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -94.85 95.89 8.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.463 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 91.5 mt -96.32 111.39 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.0 mt -113.11 131.94 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.2 mt -126.26 144.7 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.474 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.96 103.07 6.1 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.101 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -95.72 122.47 38.52 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.235 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 17.5 mp0 -117.34 111.6 19.57 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.142 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -105.49 125.6 51.17 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.176 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.477 ' HB1' ' O ' ' B' ' 17' ' ' VAL . . . -71.77 127.74 33.54 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.128 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 31' ' ' ALA . 5.0 mm100 -28.45 -68.2 0.06 Allowed 'General case' 0 N--CA 1.471 0.624 0 O-C-N 123.796 0.685 . . . . 0.0 110.834 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -48.39 136.09 13.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.431 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.84 161.55 34.44 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -140.43 126.57 19.72 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 110.237 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.49 153.45 65.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.371 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -65.38 -170.61 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 122.737 2.291 . . . . 0.0 112.153 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -89.19 136.94 32.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.611 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -112.0 1.19 16.29 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.679 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.574 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 6.5 mt -64.97 -49.27 68.85 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 58.2 Cg_endo -72.19 -14.29 28.62 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.345 2.03 . . . . 0.0 112.065 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -77.38 -58.93 3.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.942 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.22 -44.19 89.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.945 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.73 ' HE ' HD12 ' A' ' 64' ' ' ILE . 59.1 ttt-85 -57.97 -53.74 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.13 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -50.53 -45.38 56.77 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.879 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.49 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -63.49 -33.5 75.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.32 -44.1 63.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.945 0.402 . . . . 0.0 111.55 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.8 mtp -66.33 -32.65 74.19 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.655 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -81.76 -43.61 18.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.013 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 46' ' ' ALA . 48.6 t -66.21 -47.33 84.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 O-C-N 123.262 0.351 . . . . 0.0 110.401 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 55' ' ' VAL . 63.5 mt -59.7 -51.39 69.97 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.575 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.6 m -61.32 -23.9 66.06 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.006 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -92.6 -47.87 6.89 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.839 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -84.88 -24.58 28.45 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.995 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 51' ' ' LEU . 41.1 t -122.45 138.63 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 121.061 0.458 . . . . 0.0 110.597 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -75.22 77.06 2.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.862 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.9 132.64 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.363 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.514 ' O ' ' CD1' ' A' ' 62' ' ' ILE . 18.5 p -86.34 139.99 30.46 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.592 ' HA ' HD13 ' A' ' 62' ' ' ILE . 57.9 mt -45.75 -35.03 4.0 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.598 0.561 . . . . 0.0 110.84 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -69.01 -14.76 63.23 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.282 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.633 ' C ' HD12 ' A' ' 62' ' ' ILE . 9.2 m120 -99.89 20.27 14.59 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.711 0.291 . . . . 0.0 110.951 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.634 HD12 ' N ' ' A' ' 62' ' ' ILE . 2.3 mp -115.51 130.26 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.07 0.462 . . . . 0.0 110.583 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -87.14 113.44 22.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.016 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.73 HD12 ' HE ' ' A' ' 44' ' ' ARG . 42.2 mm -94.38 122.37 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.956 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -145.04 95.2 2.65 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.698 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -97.93 154.91 17.34 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.731 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -146.15 101.39 3.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.154 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -93.08 143.86 25.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.772 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 72' ' ' MET . 1.6 tp-100 -150.37 160.77 43.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.384 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 72' ' ' MET . 37.7 t70 -65.5 121.82 15.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.98 -34.91 0.62 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.483 ' H ' ' C ' ' A' ' 70' ' ' ASP . 54.0 tpp -108.55 146.39 33.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.414 . . . . 0.0 110.453 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 72' ' ' MET . 87.8 m-20 -145.55 137.34 25.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.095 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 75' ' ' LEU . 53.7 t -131.29 157.37 43.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.908 0.385 . . . . 0.0 110.02 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.469 ' N ' HG12 ' A' ' 74' ' ' VAL . 47.4 tp -139.83 115.37 10.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.566 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -103.41 108.41 19.65 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.929 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.521 HD11 ' CG2' ' A' ' 62' ' ' ILE . 38.5 tp -122.83 123.53 41.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.311 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -128.18 121.01 28.44 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.208 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.7 143.94 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.719 0.295 . . . . 0.0 110.582 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 79.1 m -109.79 116.33 31.48 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.884 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.5 mp -81.87 131.08 58.24 Favored Pre-proline 0 C--O 1.24 0.604 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.716 -178.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.403 ' HG2' ' H ' ' A' ' 83' ' ' GLU . 57.4 Cg_endo -73.52 -72.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 122.766 2.311 . . . . 0.0 112.37 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 85' ' ' LYS . 70.2 mm-40 57.54 175.99 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.997 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 63.75 -65.47 0.12 Allowed 'General case' 0 C--N 1.333 -0.136 0 O-C-N 123.453 0.471 . . . . 0.0 110.522 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 83' ' ' GLU . 70.0 mmtt -65.69 117.45 8.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.51 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.412 ' H ' ' H ' ' A' ' 87' ' ' VAL . 64.1 pttt -172.5 -0.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.424 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.481 ' O ' ' HB2' ' A' ' 88' ' ' LEU . 3.2 t -92.92 46.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.369 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 87' ' ' VAL . 9.4 mt 70.52 31.51 2.9 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 123.539 0.524 . . . . 0.0 111.638 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--N 1.323 -0.561 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.799 179.346 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 79.8 mtp . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.45 ' OG ' ' OE1' ' B' ' 5' ' ' GLU . 11.1 p -68.85 129.83 41.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.534 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.7 mt -66.84 -35.64 80.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 57.6 mt -54.09 -28.12 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.653 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' B' ' 9' ' ' GLY . 8.4 mp0 -77.73 -51.88 9.85 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.755 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.53 -40.98 88.94 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.036 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.38 -41.27 96.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.748 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -119.97 37.13 4.3 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.766 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' B' ' 5' ' ' GLU . . . -112.8 61.7 0.32 Allowed Glycine 0 N--CA 1.472 1.088 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 51.0 ttt-85 -149.98 -50.79 0.14 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.733 0.302 . . . . 0.0 110.405 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.91 163.79 36.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -171.71 67.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.552 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.22 -176.73 2.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.532 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 27.3 m -60.35 126.79 28.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.503 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.54 96.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.244 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 89.8 m -128.67 130.74 47.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.365 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.477 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 34.3 m -137.43 -166.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.189 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -121.99 9.54 9.99 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.555 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -107.02 -174.91 2.65 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.421 0.629 . . . . 0.0 110.59 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.51 164.79 30.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.066 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 84.7 mtm-85 -136.1 155.68 49.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.504 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.55 99.49 4.36 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.422 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -94.74 95.59 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.416 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 91.4 mt -95.99 111.1 25.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.345 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 94.6 mt -112.78 132.17 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.02 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 72.0 mt -126.66 144.85 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.411 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.09 103.36 6.23 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.243 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -96.07 121.77 38.19 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.223 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' B' ' 29' ' ' GLU . 20.8 mp0 -117.07 111.74 19.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.034 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 ttp85 -105.15 126.05 51.65 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.19 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 17' ' ' VAL . . . -72.09 127.16 31.71 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.163 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.473 ' C ' ' O ' ' B' ' 31' ' ' ALA . 4.9 mm100 -28.04 -68.47 0.06 Allowed 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.848 0.717 . . . . 0.0 110.754 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -47.56 137.57 8.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.432 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.63 162.39 36.98 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -141.75 128.97 21.01 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 120.871 0.367 . . . . 0.0 110.337 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p -141.64 164.71 32.98 Favored Pre-proline 0 C--O 1.239 0.526 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.558 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -73.6 -169.99 0.61 Allowed 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 122.862 2.375 . . . . 0.0 112.02 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -91.42 134.64 34.45 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.192 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -109.97 2.46 19.71 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.743 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.561 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 6.6 mt -66.2 -49.0 57.3 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.6 179.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 58.8 Cg_endo -72.9 -14.07 26.54 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.359 2.04 . . . . 0.0 112.066 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 86.5 m -77.48 -59.31 2.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.76 -44.48 89.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.832 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.725 ' HE ' HD12 ' B' ' 64' ' ' ILE . 59.3 ttt-85 -57.13 -56.59 19.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -47.83 -45.42 29.84 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.939 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.483 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -63.44 -33.84 76.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.776 0.322 . . . . 0.0 110.757 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' B' ' 47' ' ' LEU . 88.2 mt -72.46 -44.46 62.31 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.024 0.44 . . . . 0.0 111.561 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' MET . . . . . 0.495 ' CE ' HG21 ' B' ' 62' ' ' ILE . 89.8 mmm -65.71 -32.73 74.44 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.586 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -82.27 -42.98 18.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.03 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 46' ' ' ALA . 44.1 t -66.37 -47.26 84.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.367 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' B' ' 55' ' ' VAL . 62.3 mt -59.88 -51.91 67.71 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.735 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 38.2 m -59.48 -25.32 64.32 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.337 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -92.45 -49.77 5.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.728 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -81.49 -25.33 36.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.32 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' B' ' 51' ' ' LEU . 40.9 t -122.42 137.74 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.068 0.461 . . . . 0.0 110.717 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -74.6 77.33 2.0 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.893 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -140.33 132.25 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.311 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.514 ' O ' ' CD1' ' B' ' 62' ' ' ILE . 18.5 p -85.93 139.96 30.77 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.591 ' HA ' HD13 ' B' ' 62' ' ' ILE . 57.5 mt -45.79 -34.92 4.0 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.646 0.591 . . . . 0.0 110.944 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -68.89 -15.01 63.38 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.336 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASN . . . . . 0.642 ' C ' HD12 ' B' ' 62' ' ' ILE . 9.3 m120 -99.51 19.58 15.44 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.6 0.238 . . . . 0.0 110.897 -179.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.642 HD12 ' C ' ' B' ' 61' ' ' ASN . 2.2 mp -114.9 130.18 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.056 0.455 . . . . 0.0 110.569 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -87.0 113.48 22.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.102 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.725 HD12 ' HE ' ' B' ' 44' ' ' ARG . 42.5 mm -94.55 122.1 45.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.078 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.5 m -144.87 95.22 2.66 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.651 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 21.2 tt0 -97.89 154.85 17.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.698 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -145.88 101.65 3.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.213 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -93.55 142.77 26.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.836 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' B' ' 72' ' ' MET . 1.6 tp-100 -148.51 161.4 41.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.399 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.495 ' C ' ' H ' ' B' ' 72' ' ' MET . 36.9 t70 -66.46 122.8 18.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.59 -33.87 0.58 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.589 ' SD ' ' CE2' ' A' ' 8' ' ' PHE . 31.4 ttm -110.85 148.01 33.32 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.956 0.408 . . . . 0.0 110.764 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 72' ' ' MET . 85.4 m-20 -146.19 139.42 25.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.199 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 74' ' ' VAL . . . . . 0.472 HG12 ' N ' ' B' ' 75' ' ' LEU . 53.3 t -132.76 157.58 43.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.992 0.425 . . . . 0.0 109.973 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.472 ' N ' HG12 ' B' ' 74' ' ' VAL . 47.4 tp -140.0 115.63 10.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.56 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -103.79 107.31 18.13 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.963 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.536 HD11 ' CG2' ' B' ' 62' ' ' ILE . 39.0 tp -121.73 123.97 43.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.196 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -128.86 121.06 27.4 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.143 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.7 144.47 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 120.744 0.307 . . . . 0.0 110.501 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 88.3 m -110.3 116.44 31.47 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.846 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.637 HD12 ' N ' ' B' ' 81' ' ' LEU . 9.4 mp -81.97 131.02 58.13 Favored Pre-proline 0 C--O 1.241 0.61 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.667 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' PRO . . . . . 0.405 ' HG2' ' H ' ' B' ' 83' ' ' GLU . 57.7 Cg_endo -73.48 -73.12 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.849 2.366 . . . . 0.0 112.49 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' B' ' 85' ' ' LYS . 69.3 mm-40 58.22 176.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.908 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 64.51 -66.49 0.12 Allowed 'General case' 0 C--N 1.332 -0.172 0 O-C-N 123.48 0.488 . . . . 0.0 110.479 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' B' ' 83' ' ' GLU . 70.4 mmtt -66.59 118.86 10.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.06 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -173.08 -11.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.584 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' VAL . . . . . 0.463 ' O ' ' CB ' ' B' ' 88' ' ' LEU . 11.6 t -63.97 -38.85 83.48 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.79 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.599 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' B' ' 87' ' ' VAL . 1.6 mt 156.01 16.58 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 O-C-N 124.074 0.858 . . . . 0.0 110.302 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.402 ' H ' ' H ' ' B' ' 88' ' ' LEU . 37.6 tt0 . . . . . 0 C--N 1.32 -0.689 0 CA-C-O 118.135 -0.936 . . . . 0.0 110.092 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.0 mtm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 m -139.09 134.76 33.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.027 0.442 . . . . 0.0 110.563 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 3' ' ' LEU . 10.5 mp -67.43 -36.46 81.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.494 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 67.5 mt -43.29 -23.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.49 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 3' ' ' LEU . 71.3 mm-40 -63.97 -60.17 3.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 6' ' ' LEU . 10.6 mp -72.6 -36.93 68.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.08 0.467 . . . . 0.0 110.162 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.411 ' O ' HD23 ' A' ' 7' ' ' LEU . 1.2 tt -50.04 -42.62 50.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.368 -178.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -121.48 -68.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 10' ' ' ARG . . . 44.8 -144.54 2.43 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 9' ' ' GLY . 91.3 mtm180 41.03 94.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.372 . . . . 0.0 110.81 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.5 tttm -98.39 -173.46 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.494 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 56.85 95.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.532 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -171.11 -55.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.768 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.4 m -158.58 -19.03 0.07 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.482 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 49.32 -97.46 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 p -81.65 129.52 34.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.355 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.633 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 66.8 t -104.37 -89.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.37 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 17' ' ' VAL . . . 164.18 -41.86 0.0 OUTLIER 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.356 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.18 -168.07 1.79 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.568 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 7.1 p-10 -131.77 145.25 51.49 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.129 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.645 ' O ' HD12 ' A' ' 22' ' ' LEU . 77.9 mtp85 -124.67 158.06 34.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.087 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.645 HD12 ' O ' ' A' ' 21' ' ' ARG . 4.0 mp -127.83 123.98 36.46 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.346 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -119.56 96.29 5.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.31 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 94.9 mt -101.1 106.83 20.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.9 mt -103.1 126.5 57.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 86.6 mt -119.48 143.28 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.418 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -139.49 107.28 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.094 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -100.01 132.17 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.66 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.31 109.24 13.11 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.545 HH22 ' CG ' ' A' ' 73' ' ' ASP . 63.3 mtm-85 -110.37 137.96 47.39 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.985 0.421 . . . . 0.0 110.522 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.573 ' O ' ' C ' ' A' ' 32' ' ' GLN . . . -81.25 125.43 30.3 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.241 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.573 ' C ' ' O ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -12.05 -64.15 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 O-C-N 124.084 0.865 . . . . 0.0 110.845 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 32' ' ' GLN . 83.2 tt0 25.77 -88.63 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.335 1.022 . . . . 0.0 110.483 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 32' ' ' GLN . . . 134.04 15.64 1.16 Allowed Glycine 0 C--N 1.333 0.407 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 177.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' PRO . 2.2 mp0 -98.69 -82.53 0.43 Allowed 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.352 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' GLN . 35.9 m -36.88 94.72 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.561 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.389 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.434 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 31.6 Cg_exo -52.25 -56.59 2.75 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 C-N-CA 122.389 2.06 . . . . 0.0 112.548 -178.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.553 ' C ' ' H ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -177.57 -45.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.581 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 56.1 1.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.601 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -67.57 -44.05 43.07 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.531 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 23.9 Cg_exo -66.08 -14.21 43.37 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.762 2.308 . . . . 0.0 111.563 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.7 m -83.2 -49.38 9.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.826 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.06 -43.84 90.97 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.747 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.446 ' O ' ' SD ' ' A' ' 48' ' ' MET . 60.1 ttp180 -60.89 -51.69 68.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -54.84 -46.97 74.71 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.592 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.25 -37.67 72.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.675 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.33 -42.13 72.31 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.937 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.598 ' N ' ' SD ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -61.62 -32.76 72.91 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 120.93 0.395 . . . . 0.0 110.885 -179.389 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -84.1 -41.44 17.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.339 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.15 -48.28 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.176 0.512 . . . . 0.0 110.93 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.545 HD13 HG21 ' A' ' 55' ' ' VAL . 3.3 mm? -60.65 -54.29 47.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.22 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.0 m -56.55 -24.29 46.04 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.131 -0.627 . . . . 0.0 110.887 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -93.26 -76.02 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.845 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -58.59 -25.44 62.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.397 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.545 HG21 HD13 ' A' ' 51' ' ' LEU . 18.7 t -118.2 149.11 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.254 0.55 . . . . 0.0 110.715 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -93.23 87.17 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.285 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 m -141.41 131.59 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.397 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.59 ' C ' ' H ' ' A' ' 60' ' ' ASP . 34.5 t -80.7 142.33 34.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.204 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mt -54.24 -0.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.234 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.59 ' H ' ' C ' ' A' ' 58' ' ' SER . 34.5 t70 -88.71 -20.79 24.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.528 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -101.68 14.16 32.78 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.708 0.289 . . . . 0.0 110.574 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.463 HD12 ' N ' ' A' ' 62' ' ' ILE . 1.6 mp -93.47 109.9 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 0.0 110.597 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.434 ' O ' HD12 ' A' ' 77' ' ' LEU . 43.0 ttm180 -95.52 123.44 39.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.89 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 95.9 mt -122.97 139.67 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.6 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t -153.86 95.77 1.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.145 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -86.67 153.2 21.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -147.93 146.69 29.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -138.96 137.2 36.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.73 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.36 127.95 0.12 Allowed 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.663 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 72' ' ' MET . 22.9 t0 54.92 58.31 4.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.674 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 44.67 17.52 0.09 OUTLIER Glycine 0 C--O 1.239 0.409 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.613 ' SD ' ' CD2' ' B' ' 8' ' ' PHE . 32.1 ttm -116.63 99.75 7.35 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.926 0.394 . . . . 0.0 110.466 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.545 ' CG ' HH22 ' A' ' 30' ' ' ARG . 93.1 m-20 -91.0 140.36 29.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.462 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -132.6 118.54 35.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.516 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' HB2' HD21 ' A' ' 40' ' ' LEU . 6.1 tp -106.22 104.47 14.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.747 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -89.28 120.19 30.43 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.793 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.545 HD23 HD11 ' A' ' 79' ' ' ILE . 6.7 tp -126.43 130.24 50.3 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.749 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.452 HD22 ' N ' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -132.33 124.08 28.09 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.202 179.257 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.6 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.8 mp -123.95 151.14 28.69 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.307 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.1 m -113.55 115.42 27.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.721 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.461 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 10.0 mp -85.53 117.82 69.49 Favored Pre-proline 0 C--O 1.246 0.895 0 O-C-N 123.448 0.468 . . . . 0.0 110.576 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.37 141.93 80.78 Favored 'Trans proline' 0 C--N 1.318 -1.029 0 C-N-CA 122.667 2.245 . . . . 0.0 111.841 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -74.67 -41.51 60.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.707 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -83.62 125.05 31.43 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.468 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -160.57 149.95 17.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.402 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -114.04 129.28 56.62 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.897 0.38 . . . . 0.0 110.294 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.37 136.39 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.379 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 71.2 mt -111.67 130.29 55.82 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.403 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.615 179.839 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -140.52 135.69 32.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.18 0.514 . . . . 0.0 110.504 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.552 ' N ' HD12 ' B' ' 3' ' ' LEU . 10.5 mp -68.81 -35.95 77.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.609 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 64.6 mt -43.74 -24.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -63.82 -60.68 2.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.01 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.516 ' N ' HD12 ' B' ' 6' ' ' LEU . 10.5 mp -72.32 -37.56 68.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.092 0.472 . . . . 0.0 110.252 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.447 ' O ' HD23 ' B' ' 7' ' ' LEU . 1.3 tt -49.3 -41.62 38.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.198 -178.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' PHE . . . . . 0.613 ' CD2' ' SD ' ' A' ' 72' ' ' MET . 31.0 m-85 -123.04 -69.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' B' ' 10' ' ' ARG . . . 45.33 -143.47 3.37 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' B' ' 9' ' ' GLY . 90.9 mtm180 40.59 94.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.951 0.405 . . . . 0.0 110.79 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -98.76 -174.9 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.586 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 58.73 95.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.313 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -171.23 -56.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.875 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.2 m -158.28 -18.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.543 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 47.96 -98.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.66 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 14.7 p -79.18 129.79 34.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.448 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.626 ' O ' ' HB2' ' B' ' 18' ' ' ALA . 71.1 t -105.2 -89.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.364 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' B' ' 17' ' ' VAL . . . 163.41 -41.21 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.412 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.62 -168.48 1.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.567 ' N ' ' OD1' ' B' ' 20' ' ' ASP . 7.2 p-10 -131.5 145.06 51.57 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.021 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.626 ' O ' HD12 ' B' ' 22' ' ' LEU . 78.4 mtp85 -124.72 157.26 36.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.051 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.626 HD12 ' O ' ' B' ' 21' ' ' ARG . 4.2 mp -127.01 124.47 39.46 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.456 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -119.86 95.5 4.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.238 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 95.4 mt -100.5 107.03 20.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.976 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.2 mt -103.21 127.72 56.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.693 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 85.2 mt -121.1 141.72 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.424 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -138.09 107.56 6.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.078 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -100.26 131.35 46.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.9 109.6 14.36 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.551 HH22 ' CG ' ' B' ' 73' ' ' ASP . 64.3 mtm-85 -111.16 137.39 48.91 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.069 0.462 . . . . 0.0 110.346 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.557 ' O ' ' C ' ' B' ' 32' ' ' GLN . . . -80.97 126.73 31.74 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.308 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.557 ' C ' ' O ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -14.59 -65.74 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 O-C-N 124.107 0.88 . . . . 0.0 110.788 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLU . . . . . 0.542 ' OE2' ' NE2' ' B' ' 35' ' ' GLN . 84.5 tt0 28.21 -89.26 0.0 OUTLIER 'General case' 0 C--N 1.341 0.206 0 O-C-N 124.046 0.841 . . . . 0.0 110.76 178.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' B' ' 32' ' ' GLN . . . 150.83 -13.77 0.88 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLN . . . . . 0.542 ' NE2' ' OE2' ' B' ' 33' ' ' GLU . 3.1 mp0 -84.62 -156.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' THR . . . . . 0.423 ' H ' ' HB3' ' B' ' 35' ' ' GLN . 8.6 m 39.77 73.81 0.78 Allowed Pre-proline 0 N--CA 1.448 -0.536 0 CA-C-O 121.124 0.488 . . . . 0.0 110.3 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.417 ' O ' ' OD1' ' B' ' 38' ' ' ASP . 2.4 Cg_endo -43.61 -50.96 6.56 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.443 2.096 . . . . 0.0 112.562 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' B' ' 40' ' ' LEU . 0.3 OUTLIER -177.86 -48.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.632 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 59.35 -0.6 0.16 Allowed 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.114 0.483 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.596 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 0.5 OUTLIER -66.52 -44.33 55.27 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.549 -179.819 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 24.7 Cg_exo -65.27 -15.01 48.06 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.686 2.257 . . . . 0.0 111.716 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 33.5 m -81.95 -49.32 10.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.02 -43.63 91.8 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.777 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.484 ' O ' ' SD ' ' B' ' 48' ' ' MET . 60.3 ttp180 -61.04 -51.1 70.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -55.45 -46.74 76.73 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.578 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.93 73.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.935 0.398 . . . . 0.0 110.577 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 47' ' ' LEU . 97.7 mt -70.14 -41.78 73.41 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.989 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' MET . . . . . 0.6 ' N ' ' SD ' ' B' ' 48' ' ' MET . 0.0 OUTLIER -61.74 -33.85 74.79 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.969 0.414 . . . . 0.0 110.942 -179.47 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -83.08 -41.96 17.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.5 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.53 -48.82 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.051 0.453 . . . . 0.0 110.86 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.526 HD13 HG21 ' B' ' 55' ' ' VAL . 3.1 mm? -59.94 -54.8 41.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.319 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 30.0 m -55.83 -25.33 41.25 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.732 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -92.46 -76.61 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.914 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -57.81 -25.64 60.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.471 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.526 HG21 HD13 ' B' ' 51' ' ' LEU . 19.9 t -118.29 148.76 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.273 0.559 . . . . 0.0 110.757 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -92.8 88.8 6.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.207 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 m -142.88 132.74 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.015 0.436 . . . . 0.0 110.301 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.582 ' C ' ' H ' ' B' ' 60' ' ' ASP . 29.5 t -81.65 141.69 33.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.25 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 8.5 mt -53.56 -1.12 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.711 0.291 . . . . 0.0 111.223 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASP . . . . . 0.582 ' H ' ' C ' ' B' ' 58' ' ' SER . 32.8 t70 -88.4 -20.75 24.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.45 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -101.42 13.18 35.82 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.639 0.257 . . . . 0.0 110.655 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.454 ' N ' HD12 ' B' ' 62' ' ' ILE . 1.6 mp -92.46 110.18 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.947 0.404 . . . . 0.0 110.7 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.446 ' O ' HD12 ' B' ' 77' ' ' LEU . 42.9 ttm180 -95.55 123.63 39.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.822 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 96.1 mt -123.38 138.97 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.747 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.6 t -153.11 96.39 2.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.156 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -87.24 152.74 22.05 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -147.63 147.2 29.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.539 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -139.53 137.6 35.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.699 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -179.14 128.53 0.1 Allowed 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.665 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' B' ' 72' ' ' MET . 22.4 t0 54.64 55.65 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.835 0.35 . . . . 0.0 110.82 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 47.54 14.48 0.21 Allowed Glycine 0 CA--C 1.52 0.364 0 N-CA-C 111.296 -0.721 . . . . 0.0 111.296 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.447 ' N ' ' C ' ' B' ' 70' ' ' ASP . 55.1 tpp -113.1 98.92 7.45 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ASP . . . . . 0.551 ' CG ' HH22 ' B' ' 30' ' ' ARG . 92.5 m-20 -89.85 140.84 29.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.316 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 83.6 t -133.4 118.56 31.75 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.507 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.422 ' HB2' HD21 ' B' ' 40' ' ' LEU . 6.1 tp -106.32 104.83 14.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -89.46 118.78 29.36 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.967 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.537 HD23 HD11 ' B' ' 79' ' ' ILE . 7.7 tp -124.63 130.14 51.87 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.767 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ASN . . . . . 0.614 HD22 HH21 ' B' ' 21' ' ' ARG . 51.0 t-20 -132.48 123.24 26.23 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.129 179.127 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.596 HD12 ' N ' ' B' ' 79' ' ' ILE . 1.6 mp -123.3 151.66 27.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.448 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 29.4 m -114.09 115.74 28.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.678 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.447 ' O ' ' OD1' ' B' ' 20' ' ' ASP . 9.9 mp -86.11 117.73 69.2 Favored Pre-proline 0 C--O 1.245 0.843 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.627 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -55.27 144.04 73.03 Favored 'Trans proline' 0 C--N 1.317 -1.091 0 C-N-CA 122.578 2.186 . . . . 0.0 111.933 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -77.26 -40.71 43.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.626 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -84.54 123.45 30.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.323 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -158.93 149.86 20.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.442 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -114.31 129.88 56.65 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 110.276 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 8.7 p -139.99 137.77 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.378 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 70.8 mt -112.67 131.5 55.62 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.475 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.895 -1.05 . . . . 0.0 110.514 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ttt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.4 m -143.0 146.53 33.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.544 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.0 mt -65.27 -33.33 75.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.576 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 53.4 mt -54.29 -30.51 21.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.609 ' O ' ' N ' ' A' ' 9' ' ' GLY . 75.5 mm-40 -70.66 -48.27 55.71 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 6' ' ' LEU . 4.2 mm? -66.96 -40.76 87.57 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.973 0.416 . . . . 0.0 110.945 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.8 mt -62.51 -44.31 96.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.446 -178.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.497 ' CZ ' ' SD ' ' B' ' 72' ' ' MET . 96.7 m-85 -118.67 20.28 12.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.542 -178.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.609 ' N ' ' O ' ' A' ' 5' ' ' GLU . . . -49.8 -28.03 10.68 Favored Glycine 0 C--N 1.32 -0.316 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -69.43 -140.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 110.457 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HB3' ' NZ ' ' A' ' 11' ' ' LYS . 3.4 mtmp? -74.81 157.69 34.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.4 mp0 -71.92 -9.21 58.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.634 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' A' ' 15' ' ' ALA . 58.4 tttp 65.29 158.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.667 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 16' ' ' THR . 1.6 t -49.18 -11.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.552 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 13' ' ' LYS . . . 56.39 -88.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.727 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 14' ' ' THR . 80.8 p -62.31 87.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.58 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 17' ' ' VAL . 13.4 p -89.28 -6.63 10.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . 69.26 32.21 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.569 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HG3' ' H ' ' A' ' 20' ' ' ASP . 2.8 tpt180 -163.74 -173.37 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.512 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 86.7 m-20 -132.33 145.86 51.57 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.317 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.0 ttm105 -137.35 156.87 47.71 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.709 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.88 100.52 4.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.867 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -94.65 97.1 9.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.98 0.419 . . . . 0.0 110.333 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -98.6 108.57 22.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.296 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 94.8 mt -111.37 121.3 63.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 86.6 mt -114.02 118.57 58.77 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.116 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.2 97.17 6.9 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' NE2' ' CD1' ' A' ' 39' ' ' TYR . 6.6 tt0 -101.47 141.34 34.49 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.858 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 12.7 mp0 -134.88 111.89 10.23 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.271 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -117.54 137.43 52.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.029 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.74 169.77 16.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.07 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -54.84 -20.73 9.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.798 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -59.27 147.62 35.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.84 166.82 41.1 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -144.48 157.38 44.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.781 0.324 . . . . 0.0 110.385 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.9 p 40.61 84.73 0.18 Allowed Pre-proline 0 C--O 1.233 0.222 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.366 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.419 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 55.3 Cg_endo -73.94 -174.65 1.8 Allowed 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.854 2.369 . . . . 0.0 112.023 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 1.0 OUTLIER 165.79 95.14 0.0 OUTLIER 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.41 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 9.4 p90 -160.34 -30.95 0.06 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.8 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.593 HD23 HD12 ' A' ' 75' ' ' LEU . 3.0 mt -56.49 -61.92 5.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.769 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 40' ' ' LEU . 48.2 Cg_endo -67.77 -11.66 32.84 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.735 2.29 . . . . 0.0 112.095 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.7 m -76.87 -53.1 8.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.06 -42.9 83.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.592 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -58.86 -50.95 72.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -55.76 -46.87 77.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.05 -37.89 84.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.941 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.94 -41.98 73.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.132 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.426 ' HE1' HD11 ' A' ' 77' ' ' LEU . 17.1 mmt -66.1 -30.08 70.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.413 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -84.36 -43.83 14.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' TYR . 42.4 t -64.68 -50.01 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.759 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.514 ' O ' ' O ' ' A' ' 55' ' ' VAL . 67.8 mt -60.25 -55.63 31.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.118 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.3 t -51.46 -25.62 6.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.946 0.403 . . . . 0.0 110.667 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -95.45 -70.54 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.369 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' VAL . 43.8 m-85 -62.13 -25.53 67.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' A' ' 51' ' ' LEU . 23.1 t -120.13 156.05 23.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.285 0.564 . . . . 0.0 110.828 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.426 ' N ' HG12 ' A' ' 55' ' ' VAL . 42.6 t-20 -101.69 90.45 4.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.824 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.17 130.24 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.302 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.558 ' C ' ' H ' ' A' ' 60' ' ' ASP . 70.0 m -83.79 143.56 29.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.455 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.4 mm? -51.49 -4.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.946 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.558 ' H ' ' C ' ' A' ' 58' ' ' SER . 97.8 m-20 -88.49 -22.86 23.42 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.186 0.517 . . . . 0.0 110.704 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -96.96 11.38 36.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.93 0.395 . . . . 0.0 110.816 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 63' ' ' ARG . 1.7 mp -92.86 159.63 2.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.09 0.471 . . . . 0.0 109.852 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.494 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 67.0 ttt180 -132.38 109.47 9.87 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.646 177.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.5 mm -94.84 120.95 44.98 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.192 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 p -148.11 100.91 3.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.153 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -99.06 150.28 22.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.839 0.352 . . . . 0.0 110.449 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -145.5 141.64 28.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.012 0.434 . . . . 0.0 110.701 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -152.68 133.92 14.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.628 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -174.28 116.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.69 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 72' ' ' MET . 15.5 t0 72.8 62.99 0.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.033 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 44.21 16.05 0.05 OUTLIER Glycine 0 C--O 1.239 0.437 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.613 ' SD ' ' CE1' ' B' ' 8' ' ' PHE . 54.0 ttm -109.08 108.57 19.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.021 0.439 . . . . 0.0 110.287 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -95.59 120.17 35.37 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.33 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.9 t -122.75 108.47 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 121.041 0.448 . . . . 0.0 110.324 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.593 HD12 HD23 ' A' ' 40' ' ' LEU . 1.3 tt -94.55 110.21 22.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.571 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.456 ' N ' HD23 ' A' ' 75' ' ' LEU . 83.3 tt0 -97.71 118.67 34.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.127 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 63' ' ' ARG . 11.6 tp -135.62 130.76 34.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.627 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -132.04 130.57 41.52 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.206 0.527 . . . . 0.0 110.361 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 79' ' ' ILE . 2.9 mp -128.64 150.35 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.807 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.4 m -116.9 113.79 22.95 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 mp -83.71 140.79 41.04 Favored Pre-proline 0 C--O 1.238 0.496 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.422 ' HA ' ' HE ' ' A' ' 19' ' ' ARG . 59.5 Cg_endo -72.73 159.39 48.66 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.762 2.308 . . . . 0.0 112.396 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -91.13 -17.89 25.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.486 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -73.82 133.71 43.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.356 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -169.74 -104.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.368 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt 40.59 69.14 0.35 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.809 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.5 t -73.77 135.95 26.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.445 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 88' ' ' LEU . 56.3 mt -45.47 141.0 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.379 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 . . . . . 0 C--O 1.222 -0.386 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.491 -179.612 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m -141.96 146.47 35.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.604 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 53.1 mt -65.58 -32.77 74.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.56 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 55.7 mt -54.49 -30.54 21.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.653 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.634 ' O ' ' N ' ' B' ' 9' ' ' GLY . 74.0 mm-40 -70.8 -49.34 47.45 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.786 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.504 HD22 ' N ' ' B' ' 6' ' ' LEU . 4.4 mm? -65.96 -40.51 91.34 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.918 0.39 . . . . 0.0 111.103 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 72.1 mt -62.57 -44.29 96.7 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.424 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' PHE . . . . . 0.613 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 96.7 m-85 -119.08 21.14 12.47 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.605 -179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . 0.634 ' N ' ' O ' ' B' ' 5' ' ' GLU . . . -51.89 -25.81 17.02 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.684 -0.967 . . . . 0.0 110.684 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -70.93 -136.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.626 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.445 ' HZ1' ' HB3' ' B' ' 11' ' ' LYS . 12.1 mtpp -77.26 154.55 32.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.658 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 22.4 mp0 -69.15 -11.89 61.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.619 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LYS . . . . . 0.492 ' C ' ' H ' ' B' ' 15' ' ' ALA . 58.2 tttp 67.25 158.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.583 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.405 ' O ' ' N ' ' B' ' 16' ' ' THR . 1.7 t -49.1 -11.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.668 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' B' ' 13' ' ' LYS . . . 56.47 -88.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.716 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' THR . . . . . 0.405 ' N ' ' O ' ' B' ' 14' ' ' THR . 81.1 p -61.61 87.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.491 HG22 ' O ' ' B' ' 17' ' ' VAL . 13.6 p -89.4 -6.55 10.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.63 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' B' ' 17' ' ' VAL . . . 69.03 34.14 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.443 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ARG . . . . . 0.423 ' HG3' ' H ' ' B' ' 20' ' ' ASP . 2.8 tpt180 -165.83 -173.67 2.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.584 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.423 ' H ' ' HG3' ' B' ' 19' ' ' ARG . 86.2 m-20 -132.33 145.6 51.38 Favored 'General case' 0 C--N 1.335 -0.03 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.359 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 21' ' ' ARG . 28.2 ttm105 -137.11 156.57 48.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.699 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.48 100.57 4.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -94.44 96.88 9.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.03 0.443 . . . . 0.0 110.244 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -98.68 108.51 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.434 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 90.5 mt -111.17 122.47 65.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 86.2 mt -115.13 118.13 57.82 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.058 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.77 96.66 6.54 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.404 ' NE2' ' CD1' ' B' ' 39' ' ' TYR . 6.7 tt0 -100.77 141.08 34.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.41 . . . . 0.0 110.926 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' B' ' 29' ' ' GLU . 10.4 mp0 -134.34 111.93 10.59 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.303 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -117.92 138.01 52.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.973 0.415 . . . . 0.0 111.028 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.89 169.07 16.46 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.101 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -54.05 -20.8 7.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -59.22 147.77 34.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.467 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.52 166.84 41.36 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -144.02 157.89 44.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.687 0.279 . . . . 0.0 110.453 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 50.5 p 40.07 86.03 0.14 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.372 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.428 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 55.8 Cg_endo -74.93 -174.98 2.12 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.839 2.359 . . . . 0.0 112.018 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 0.8 OUTLIER 166.08 95.86 0.0 OUTLIER 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.421 179.81 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' B' ' 40' ' ' LEU . 9.2 p90 -161.0 -32.39 0.05 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.758 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.661 HD23 HD12 ' B' ' 75' ' ' LEU . 3.2 mt -55.34 -61.47 6.0 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.669 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' B' ' 40' ' ' LEU . 45.5 Cg_endo -67.83 -11.93 33.73 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.762 2.308 . . . . 0.0 112.045 178.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.7 m -77.14 -52.9 8.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.274 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.16 -42.77 83.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -59.21 -50.59 73.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.769 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -56.15 -46.68 79.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.552 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.15 -37.64 83.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.26 -42.02 72.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.141 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' MET . . . . . 0.409 ' HE1' HD11 ' B' ' 77' ' ' LEU . 17.6 mmt -65.92 -30.28 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.481 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -84.3 -43.68 14.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' B' ' 54' ' ' TYR . 42.0 t -64.94 -49.77 78.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.736 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.515 ' O ' ' O ' ' B' ' 55' ' ' VAL . 76.9 mt -60.24 -55.71 30.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.163 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.5 t -51.71 -25.39 7.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.957 0.408 . . . . 0.0 110.691 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -95.57 -70.7 0.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.284 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.468 ' N ' ' O ' ' B' ' 50' ' ' VAL . 44.7 m-85 -62.18 -25.55 67.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.515 ' O ' ' O ' ' B' ' 51' ' ' LEU . 25.2 t -120.13 156.38 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.262 0.553 . . . . 0.0 110.762 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.427 ' N ' HG12 ' B' ' 55' ' ' VAL . 43.3 t-20 -101.76 91.04 4.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.661 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.59 130.15 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.291 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' SER . . . . . 0.568 ' C ' ' H ' ' B' ' 60' ' ' ASP . 70.8 m -83.71 143.29 30.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.426 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.495 HD22 ' N ' ' B' ' 59' ' ' LEU . 4.4 mm? -51.34 -4.56 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.951 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASP . . . . . 0.568 ' H ' ' C ' ' B' ' 58' ' ' SER . 97.0 m-20 -88.75 -22.99 23.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.158 0.504 . . . . 0.0 110.708 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -96.83 11.27 36.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.9 0.381 . . . . 0.0 110.786 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' B' ' 63' ' ' ARG . 1.7 mp -92.82 159.62 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.121 0.486 . . . . 0.0 109.803 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.524 ' O ' HD12 ' B' ' 77' ' ' LEU . 66.8 ttt180 -131.84 109.72 10.31 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.66 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 25.7 mm -95.2 121.0 45.37 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.989 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.7 p -148.57 102.1 3.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -100.19 150.39 22.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.969 0.414 . . . . 0.0 110.355 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -145.03 142.27 29.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.667 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -153.26 133.45 13.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.704 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -173.89 116.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.684 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' B' ' 72' ' ' MET . 16.2 t0 72.46 63.69 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 44.31 15.34 0.04 OUTLIER Glycine 0 C--O 1.239 0.441 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.533 ' N ' ' O ' ' B' ' 70' ' ' ASP . 4.6 tpp -108.25 109.67 21.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.001 0.429 . . . . 0.0 110.469 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -96.87 120.5 37.32 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.315 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 43.1 t -123.45 108.67 21.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.027 0.441 . . . . 0.0 110.392 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.661 HD12 HD23 ' B' ' 40' ' ' LEU . 1.4 tt -94.54 110.74 22.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.609 -179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.441 ' N ' HD23 ' B' ' 75' ' ' LEU . 82.2 tt0 -98.2 118.04 33.94 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.152 0.501 . . . . 0.0 110.128 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.524 HD12 ' O ' ' B' ' 63' ' ' ARG . 11.4 tp -135.15 130.68 35.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.65 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -131.79 130.68 42.14 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.225 0.535 . . . . 0.0 110.425 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.423 HD12 ' N ' ' B' ' 79' ' ' ILE . 2.9 mp -128.65 150.49 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.803 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 4.6 m -117.08 112.88 21.52 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.066 0.46 . . . . 0.0 109.769 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 mp -82.71 140.98 44.17 Favored Pre-proline 0 C--O 1.24 0.602 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.789 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' PRO . . . . . 0.4 ' HA ' ' HE ' ' B' ' 19' ' ' ARG . 60.2 Cg_endo -73.36 159.52 46.59 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.777 2.318 . . . . 0.0 112.416 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -91.08 -17.4 26.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.544 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -73.74 133.71 43.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.467 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -170.02 -105.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.34 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 41.31 68.98 0.38 Allowed 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.774 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 17.6 t -73.35 136.14 26.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.498 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 53.4 mt -46.18 141.55 3.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.313 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.892 -1.051 . . . . 0.0 110.464 -179.177 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.485 HH21 HG21 ' A' ' 80' ' ' THR . 14.5 mtp180 . . . . . 0 C--O 1.234 0.267 0 CA-C-O 121.041 0.448 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -121.35 150.17 41.86 Favored 'General case' 0 C--O 1.227 -0.091 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.779 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.463 ' CG ' HD21 ' A' ' 78' ' ' ASN . 43.7 ttm180 -137.4 156.2 48.47 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.85 123.8 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.782 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -121.57 95.62 4.75 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.712 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 80.3 mt -99.16 114.3 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.271 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -103.57 120.34 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.83 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 86.1 mt -107.22 127.45 62.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.315 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.55 93.3 3.81 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.94 0.4 . . . . 0.0 110.007 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.597 ' NE2' ' CD2' ' A' ' 40' ' ' LEU . 18.6 tt0 -92.41 124.2 36.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.573 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -120.07 121.71 39.47 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -126.77 136.04 51.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.937 0.398 . . . . 0.0 110.59 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.969 179.698 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.425 ' HB2' HE22 ' A' ' 28' ' ' GLN . 94.8 m-85 . . . . . 0 N--CA 1.467 0.394 0 CA-C-O 121.072 0.463 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.597 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 4.0 mm? -65.02 -59.94 9.05 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.751 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.15 -11.86 33.04 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.127 1.885 . . . . 0.0 112.059 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.1 m -75.04 -53.57 8.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.85 0.357 . . . . 0.0 110.962 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.47 -42.11 92.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -59.34 -43.43 92.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.686 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.59 -49.99 75.32 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.464 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -61.98 -33.5 74.43 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.001 0.429 . . . . 0.0 110.655 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.2 mt -73.22 -40.04 65.02 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.166 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.1 mmt -65.16 -37.58 87.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.841 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -81.6 -41.71 21.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.253 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 46' ' ' ALA . 45.1 t -64.49 -49.19 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.233 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 55' ' ' VAL . 68.1 mt -61.54 -50.6 72.01 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.41 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.0 p -52.86 -28.99 25.47 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.646 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -93.35 -66.08 0.95 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.47 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -61.84 -26.89 68.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.314 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 51' ' ' LEU . 38.8 t -121.39 153.13 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.934 0.397 . . . . 0.0 110.629 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -95.37 74.98 3.34 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.418 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.9 m -131.92 129.2 60.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 110.343 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.538 ' C ' ' H ' ' A' ' 60' ' ' ASP . 47.9 t -83.49 142.85 30.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.552 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.3 mm? -52.51 -4.19 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.604 0.24 . . . . 0.0 110.575 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.538 ' H ' ' C ' ' A' ' 58' ' ' SER . 97.3 m-20 -84.71 -21.19 30.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -105.12 17.59 23.81 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.6 0.238 . . . . 0.0 110.802 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -95.04 113.75 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -97.44 121.49 39.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.42 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.66 138.56 48.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.462 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 t -153.08 97.26 2.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.24 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -87.26 150.74 23.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.257 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -148.53 102.73 3.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.198 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -98.72 152.1 20.03 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.624 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -163.71 108.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 51.94 -118.04 1.23 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.658 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.25 18.12 54.61 Favored Glycine 0 N--CA 1.467 0.766 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 49.1 ttm -129.78 126.78 38.96 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.016 0.436 . . . . 0.0 110.541 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -124.85 144.97 50.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.887 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.4 t -137.59 117.35 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.53 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.504 HD12 HD12 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -105.91 112.79 25.99 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.175 0.512 . . . . 0.0 109.985 -179.737 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -94.5 117.52 30.25 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.293 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.535 HD23 HD11 ' A' ' 79' ' ' ILE . 8.6 tp -123.55 126.05 45.97 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.932 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.463 HD21 ' CG ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -125.92 121.25 32.6 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.867 179.302 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.535 HD11 HD23 ' A' ' 77' ' ' LEU . 2.7 mp -117.71 138.89 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.485 HG21 HH21 ' A' ' 19' ' ' ARG . 2.9 m -106.26 112.26 25.2 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.6 mp -78.45 121.39 83.67 Favored Pre-proline 0 C--O 1.243 0.719 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.189 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo . . . . . 0 N--CA 1.485 1.024 0 C-N-CA 122.027 1.818 . . . . 0.0 112.232 -179.753 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.494 HH21 HG21 ' B' ' 80' ' ' THR . 14.6 mtp180 . . . . . 0 C--O 1.234 0.257 0 CA-C-O 120.949 0.404 . . . . 0.0 110.228 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -121.59 149.83 42.57 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.811 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.464 ' CG ' HD21 ' B' ' 78' ' ' ASN . 43.7 ttm180 -136.86 156.15 48.85 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.82 123.75 22.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.83 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -121.47 95.3 4.62 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.885 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 79.6 mt -98.98 114.08 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.309 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -103.38 120.36 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.928 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.5 mt -107.2 127.62 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.347 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.74 93.32 3.81 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.963 0.411 . . . . 0.0 110.033 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.595 ' NE2' ' CD2' ' B' ' 40' ' ' LEU . 18.4 tt0 -92.57 123.67 36.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.536 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -119.71 121.42 39.19 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -126.43 135.76 51.8 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.526 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.982 179.73 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.4 ' HB2' HE22 ' B' ' 28' ' ' GLN . 97.8 m-85 . . . . . 0 N--CA 1.471 0.602 0 CA-C-O 120.707 0.289 . . . . 0.0 111.046 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.595 ' CD2' ' NE2' ' B' ' 28' ' ' GLN . 3.9 mm? -63.61 -60.71 8.54 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.092 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -66.51 -11.8 33.16 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 122.326 2.017 . . . . 0.0 111.779 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 93.6 m -74.95 -53.71 8.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.923 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.62 -42.12 91.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.63 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -59.42 -43.46 93.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.511 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.59 -49.84 75.93 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.415 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.528 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -62.13 -33.44 74.49 Favored 'General case' 0 CA--C 1.512 -0.519 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.658 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.3 -39.97 64.89 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.133 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 17.2 mmt -65.25 -37.55 87.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.822 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -81.62 -41.61 21.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 46' ' ' ALA . 43.4 t -64.58 -49.16 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' B' ' 55' ' ' VAL . 69.9 mt -61.46 -50.7 71.73 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.454 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -52.76 -29.17 25.75 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.648 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -93.27 -66.07 0.95 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.885 0.374 . . . . 0.0 111.443 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -61.87 -26.91 68.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.383 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' B' ' 51' ' ' LEU . 38.8 t -121.25 153.32 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 121.011 0.434 . . . . 0.0 110.581 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -95.56 74.92 3.25 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.489 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 4.0 m -131.85 129.37 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.904 0.383 . . . . 0.0 110.364 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.561 ' C ' ' H ' ' B' ' 60' ' ' ASP . 46.8 t -83.5 142.73 30.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.529 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.479 HD22 ' N ' ' B' ' 59' ' ' LEU . 4.3 mm? -52.54 -3.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.708 0.29 . . . . 0.0 110.655 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . 0.561 ' H ' ' C ' ' B' ' 58' ' ' SER . 96.9 m-20 -84.94 -21.02 29.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -105.17 17.15 24.54 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.575 0.226 . . . . 0.0 110.755 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -94.77 113.81 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -97.51 121.56 39.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.432 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.93 138.6 49.13 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.544 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.4 t -152.96 97.28 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.291 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -87.25 150.61 23.78 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.293 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -148.28 102.72 3.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.183 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -98.92 150.7 21.66 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -161.96 109.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.243 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 51.3 -117.54 1.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.674 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.46 17.99 54.33 Favored Glycine 0 N--CA 1.468 0.782 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 49.4 ttm -129.6 125.79 36.98 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.028 0.442 . . . . 0.0 110.585 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -123.85 144.88 49.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.968 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 84.3 t -137.63 117.26 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.384 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.527 HD12 HD12 ' B' ' 40' ' ' LEU . 0.9 OUTLIER -105.95 112.96 26.22 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.134 0.492 . . . . 0.0 109.776 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -94.65 117.47 30.17 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.271 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.535 HD23 HD11 ' B' ' 79' ' ' ILE . 8.8 tp -123.42 126.22 46.39 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.929 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . 0.464 HD21 ' CG ' ' B' ' 21' ' ' ARG . 0.5 OUTLIER -126.09 121.42 32.86 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.882 179.3 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.535 HD11 HD23 ' B' ' 77' ' ' LEU . 2.7 mp -117.85 139.16 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . 0.494 HG21 HH21 ' B' ' 19' ' ' ARG . 2.9 m -106.53 112.08 24.93 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.34 121.2 83.49 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.083 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo . . . . . 0 N--CA 1.486 1.049 0 C-N-CA 122.074 1.849 . . . . 0.0 112.248 -179.825 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.238 0.45 0 CA-C-O 121.28 0.562 . . . . 0.0 110.445 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' B' ' 29' ' ' GLU . 12.0 t70 -146.41 164.91 30.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.35 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 98.0 mtt180 -135.36 153.64 51.77 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.419 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.36 98.4 4.23 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.258 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -95.42 97.49 9.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.796 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.7 mt -101.76 109.48 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.44 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.4 mm -102.31 126.6 56.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.911 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.7 mt -116.87 134.61 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.351 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.11 109.47 9.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.145 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -101.93 126.0 48.74 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.536 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' B' ' 20' ' ' ASP . 81.6 tt0 -123.22 110.23 14.98 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.7 mtm-85 -105.35 138.76 41.03 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.746 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.33 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 . . . . . 0 N--CA 1.466 0.352 0 CA-C-O 120.83 0.347 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.532 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 8.0 mt -68.88 -49.11 27.89 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.414 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 60.6 Cg_endo -75.26 -12.96 21.01 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 122.324 2.016 . . . . 0.0 111.798 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.4 m -76.71 -54.03 7.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.662 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.26 -42.22 88.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -58.83 -43.5 90.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.789 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -62.39 -47.74 82.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.719 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -61.5 -36.34 80.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.021 0.439 . . . . 0.0 110.812 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.0 mt -71.91 -41.56 67.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.145 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.7 mmt -65.83 -33.5 75.98 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.769 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -83.61 -41.71 17.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 46' ' ' ALA . 47.7 t -65.15 -48.71 82.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.186 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.486 ' O ' ' O ' ' A' ' 55' ' ' VAL . 70.2 mt -60.76 -55.86 28.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.078 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -50.85 -27.13 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.811 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -94.63 -69.92 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.474 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' VAL . 44.8 m-85 -61.38 -26.25 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.5 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.486 ' O ' ' O ' ' A' ' 51' ' ' LEU . 25.9 t -118.77 152.66 21.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 121.202 0.525 . . . . 0.0 110.569 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -97.88 87.19 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.427 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.96 133.17 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.268 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.524 ' C ' ' H ' ' A' ' 60' ' ' ASP . 13.0 t -86.04 143.5 28.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.165 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.9 mt -52.63 -4.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.87 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.524 ' H ' ' C ' ' A' ' 58' ' ' SER . 98.3 m-20 -84.15 -23.04 30.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.713 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -103.08 13.63 33.71 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.777 0.322 . . . . 0.0 110.536 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -97.69 116.22 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.092 0.472 . . . . 0.0 110.226 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.557 ' O ' HD12 ' A' ' 77' ' ' LEU . 55.1 ttm-85 -93.93 117.47 30.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.277 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.3 mm -107.3 131.07 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 CA-C-O 121.15 0.5 . . . . 0.0 111.02 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -146.16 130.86 17.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.888 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -130.67 152.91 49.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.25 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -144.13 107.6 4.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.235 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -86.05 136.85 33.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.503 ' O ' ' O ' ' A' ' 72' ' ' MET . 10.5 tp-100 -154.28 151.36 29.03 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' A' ' 72' ' ' MET . 47.3 m-20 -30.63 130.76 0.1 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.723 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 70' ' ' ASP . . . 22.71 38.59 0.01 OUTLIER Glycine 0 CA--C 1.532 1.121 0 O-C-N 123.898 0.749 . . . . 0.0 112.159 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.621 ' N ' ' O ' ' A' ' 70' ' ' ASP . 52.3 tpp -156.05 141.95 18.05 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-O 121.576 0.703 . . . . 0.0 110.539 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -147.17 141.8 26.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.234 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.91 117.36 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.407 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.1 tt -107.01 104.58 14.28 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.054 0.454 . . . . 0.0 110.178 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -88.49 127.37 35.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.126 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 63' ' ' ARG . 61.3 tp -131.81 124.1 28.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.305 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.423 HD22 ' C ' ' A' ' 77' ' ' LEU . 7.1 m120 -127.51 123.07 35.03 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.273 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.5 mp -122.37 147.99 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 120.764 0.316 . . . . 0.0 110.276 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -116.84 110.87 18.92 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.609 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 81' ' ' LEU . 11.0 mp -80.44 141.49 52.98 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.926 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo . . . . . 0 N--CA 1.488 1.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.114 179.462 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.239 0.506 0 CA-C-O 121.225 0.536 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 29' ' ' GLU . 15.0 t70 -146.5 164.7 31.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.441 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.436 ' N ' ' CG ' ' B' ' 20' ' ' ASP . 97.9 mtt180 -135.37 153.72 51.73 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.368 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.77 98.22 4.12 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.369 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -95.29 97.51 9.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.82 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 89.1 mt -101.72 109.72 26.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.43 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 21.6 mm -102.25 125.76 56.42 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.984 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 91.6 mt -115.81 133.54 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.364 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.38 110.17 10.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.225 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -102.71 126.43 49.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.694 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 82.1 tt0 -123.71 109.54 13.83 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 49.2 mtm-85 -105.1 139.22 40.09 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.521 -179.983 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 . . . . . 0 N--CA 1.465 0.321 0 CA-C-O 120.683 0.278 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 8.5 mt -67.5 -48.94 43.51 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.392 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 61.1 Cg_endo -75.31 -13.13 20.88 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 122.366 2.044 . . . . 0.0 111.725 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 93.8 m -76.37 -54.21 7.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.604 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.25 -42.65 88.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.562 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -58.38 -43.57 88.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.706 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -62.49 -47.69 82.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.587 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.506 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -61.55 -36.3 80.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.044 0.45 . . . . 0.0 110.807 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 86.4 mt -71.95 -41.15 68.11 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.129 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 24.5 mmt -66.28 -33.45 75.77 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.663 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -83.61 -42.15 17.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 46' ' ' ALA . 47.7 t -64.73 -48.5 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.184 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' B' ' 55' ' ' VAL . 69.6 mt -61.01 -56.14 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.055 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.6 t -50.64 -27.07 6.19 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -94.68 -69.47 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.932 0.396 . . . . 0.0 111.56 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' B' ' 50' ' ' VAL . 44.8 m-85 -61.76 -26.1 67.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.507 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.487 ' O ' ' O ' ' B' ' 51' ' ' LEU . 30.6 t -119.28 151.78 21.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.23 0.538 . . . . 0.0 110.702 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -96.93 88.09 4.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.494 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 m -145.85 133.15 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.183 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.548 ' C ' ' H ' ' B' ' 60' ' ' ASP . 15.7 t -85.93 143.56 28.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.259 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 64.0 mt -52.66 -5.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.872 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . 0.548 ' H ' ' C ' ' B' ' 58' ' ' SER . 93.4 m-20 -83.96 -22.99 31.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.668 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -102.85 13.66 33.85 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.644 0.259 . . . . 0.0 110.479 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.37 116.41 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.3 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.524 ' O ' HD12 ' B' ' 77' ' ' LEU . 55.7 ttm-85 -93.91 118.3 31.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.268 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 mm -108.15 130.94 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -146.19 129.8 16.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.887 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -129.24 153.0 48.21 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.102 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -144.2 108.01 4.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.389 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -87.65 134.79 33.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.417 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.494 ' O ' ' O ' ' B' ' 70' ' ' ASP . 10.6 tp-100 -156.21 116.13 3.61 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' B' ' 72' ' ' MET . 78.6 m-20 27.54 -148.46 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 O-C-N 124.08 0.863 . . . . 0.0 110.633 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.85 42.22 0.2 Allowed Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.521 ' N ' ' O ' ' B' ' 70' ' ' ASP . 37.0 ttm -148.89 151.01 33.93 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-O 121.001 0.429 . . . . 0.0 110.667 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -152.51 141.64 21.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.166 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.87 118.26 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.295 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.412 HD23 ' C ' ' B' ' 75' ' ' LEU . 4.2 tt -108.22 104.92 14.42 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.027 0.441 . . . . 0.0 110.247 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -88.29 128.81 35.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.202 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.524 HD12 ' O ' ' B' ' 63' ' ' ARG . 56.0 tp -132.62 122.38 24.62 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.402 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -125.86 123.93 39.75 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.298 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.3 mp -123.41 147.59 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.776 0.322 . . . . 0.0 110.362 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -116.17 109.38 17.38 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.422 HD12 ' N ' ' B' ' 81' ' ' LEU . 11.1 mp -79.73 140.03 54.69 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.12 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo . . . . . 0 N--CA 1.489 1.259 0 C-N-CA 122.726 2.284 . . . . 0.0 111.974 178.905 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.441 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 4.0 mtp180 . . . . . 0 C--O 1.234 0.272 0 CA-C-O 121.372 0.606 . . . . 0.0 110.559 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 19' ' ' ARG . 4.3 m-20 -139.64 167.01 23.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.464 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.727 ' CG ' HD21 ' A' ' 78' ' ' ASN . 60.0 ttp180 -137.33 156.01 48.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.598 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.27 107.57 6.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.571 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -101.43 101.29 11.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.323 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.0 mt -97.64 114.87 36.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.194 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.4 mt -111.6 124.12 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.161 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 89.5 mt -117.14 127.5 74.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.238 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.7 103.41 8.86 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.115 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.438 HE22 HH21 ' A' ' 30' ' ' ARG . 55.7 tt0 -102.48 126.93 49.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.221 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.485 ' OE2' ' NE ' ' B' ' 21' ' ' ARG . 7.4 pt-20 -121.98 115.72 23.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.271 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.475 ' NH2' ' CD2' ' A' ' 39' ' ' TYR . 93.0 mtt180 -108.83 117.69 34.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.31 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.516 -0.335 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.491 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.475 ' CD2' ' NH2' ' A' ' 30' ' ' ARG . 47.1 m-85 . . . . . 0 N--CA 1.465 0.278 0 CA-C-O 120.646 0.26 . . . . 0.0 110.534 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.564 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -61.06 -46.52 96.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 7.7 Cg_exo -72.06 -14.96 29.19 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.933 2.422 . . . . 0.0 111.674 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.6 m -78.22 -55.22 5.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.32 -43.86 93.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.742 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -60.17 -43.23 96.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.801 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -62.75 -49.02 76.67 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.988 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.666 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -58.15 -31.42 67.2 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.793 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.0 mt -75.49 -40.59 57.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.854 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.7 mmt -68.86 -39.15 80.03 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.499 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -61.92 -53.66 52.6 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.245 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.766 HG23 ' H ' ' A' ' 51' ' ' LEU . 16.4 m -62.49 -62.13 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.453 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.766 ' H ' HG23 ' A' ' 50' ' ' VAL . 71.4 mt -43.9 -24.3 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.705 0.288 . . . . 0.0 111.049 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.0 t -76.12 -44.05 40.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.268 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -105.7 -47.36 3.92 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.923 0.392 . . . . 0.0 111.135 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.3 m-85 -57.37 -43.73 83.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.775 -178.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.547 HG12 ' N ' ' A' ' 56' ' ' ASN . 47.3 t -111.42 161.71 9.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.38 . . . . 0.0 110.282 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.547 ' N ' HG12 ' A' ' 55' ' ' VAL . 74.0 m-20 -94.56 70.67 3.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.724 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.22 129.68 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.251 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.549 ' C ' ' H ' ' A' ' 60' ' ' ASP . 47.9 t -83.67 146.21 28.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.176 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.2 mm? -54.59 -2.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.765 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.549 ' H ' ' C ' ' A' ' 58' ' ' SER . 96.5 m-20 -86.01 -20.75 28.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.619 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -104.76 15.88 27.05 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.633 0.254 . . . . 0.0 110.714 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -92.88 117.82 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 110.52 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.514 ' O ' HD12 ' A' ' 77' ' ' LEU . 60.7 ttm-85 -93.46 98.03 10.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.785 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 tp -97.94 132.63 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.004 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 t -153.67 95.34 1.88 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.127 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.469 ' CD ' ' N ' ' A' ' 67' ' ' GLU . 23.4 tm0? -87.03 151.6 23.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.493 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 66' ' ' GLN . 80.0 mt-10 -155.65 131.27 9.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.591 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -142.55 151.44 41.59 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -168.63 138.69 2.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.601 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' A' ' 71' ' ' GLY . 63.6 t0 56.91 -123.26 1.72 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.319 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.457 ' H ' ' CG ' ' A' ' 70' ' ' ASP . . . -110.82 5.08 29.15 Favored Glycine 0 N--CA 1.465 0.608 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.5 ttm -112.33 123.86 51.2 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.886 0.374 . . . . 0.0 110.396 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.61 143.93 44.63 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.285 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 m -138.15 159.52 32.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 121.018 0.437 . . . . 0.0 110.149 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.87 131.22 28.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.598 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -113.34 115.5 28.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.987 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 63' ' ' ARG . 42.7 tp -132.71 122.42 24.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.426 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.727 HD21 ' CG ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -126.02 123.1 37.69 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.879 179.222 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.649 ' N ' HD22 ' A' ' 78' ' ' ASN . 2.0 mp -118.15 141.51 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.902 0.382 . . . . 0.0 110.09 -179.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.5 m -110.62 109.1 19.26 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.962 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.2 mp -77.46 133.45 67.49 Favored Pre-proline 0 C--O 1.237 0.424 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.585 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo . . . . . 0 N--CA 1.492 1.384 0 C-N-CA 122.531 2.154 . . . . 0.0 112.186 179.721 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.44 ' O ' ' OD1' ' B' ' 20' ' ' ASP . 4.1 mtp180 . . . . . 0 N--CA 1.465 0.292 0 CA-C-O 121.379 0.609 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' B' ' 19' ' ' ARG . 4.1 m-20 -139.94 165.82 26.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.286 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.728 ' CG ' HD21 ' B' ' 78' ' ' ASN . 60.0 ttp180 -135.52 156.95 48.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.617 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.98 108.77 6.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.513 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -102.9 101.68 11.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.383 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 72.4 mt -97.93 115.13 37.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.241 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 91.5 mt -111.67 123.99 68.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.074 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.4 mt -117.36 127.32 74.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.195 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.46 103.46 8.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.158 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.505 HE22 HH21 ' B' ' 30' ' ' ARG . 57.3 tt0 -102.73 125.58 49.52 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.2 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.503 ' OE2' ' NE ' ' A' ' 21' ' ' ARG . 7.5 pt-20 -120.42 116.49 25.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.285 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.505 HH21 HE22 ' B' ' 28' ' ' GLN . 94.6 mtt180 -109.63 117.49 34.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.323 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.775 179.541 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.492 ' CD2' ' NH2' ' B' ' 30' ' ' ARG . 46.0 m-85 . . . . . 0 N--CA 1.463 0.212 0 CA-C-O 120.771 0.32 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.564 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 0.6 OUTLIER -61.1 -46.59 96.19 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 7.5 Cg_exo -71.77 -15.05 30.09 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.933 2.422 . . . . 0.0 111.786 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 92.9 m -78.52 -55.82 4.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.146 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.78 -44.08 94.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.605 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -60.0 -43.32 95.29 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.734 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -62.43 -49.62 74.75 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.991 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.678 ' O ' HG22 ' B' ' 50' ' ' VAL . . . -57.58 -31.44 66.17 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.695 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.2 mt -75.49 -40.43 57.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.967 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 22.5 mmt -68.96 -39.24 79.62 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.505 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -61.97 -53.54 54.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.232 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.768 HG23 ' H ' ' B' ' 51' ' ' LEU . 16.4 m -62.63 -62.41 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.539 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.768 ' H ' HG23 ' B' ' 50' ' ' VAL . 71.3 mt -43.67 -24.73 0.13 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.73 0.3 . . . . 0.0 111.064 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.1 t -75.59 -44.04 45.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.369 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -105.86 -47.59 3.84 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.977 0.418 . . . . 0.0 111.165 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' B' ' 50' ' ' VAL . 3.2 m-85 -57.03 -43.67 82.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.782 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.538 HG12 ' N ' ' B' ' 56' ' ' ASN . 45.4 t -111.62 161.54 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.007 0.432 . . . . 0.0 110.29 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.538 ' N ' HG12 ' B' ' 55' ' ' VAL . 73.6 m-20 -94.37 70.31 3.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.824 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -136.72 129.76 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.175 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.546 ' C ' ' H ' ' B' ' 60' ' ' ASP . 46.7 t -83.62 146.24 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.069 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.509 HD22 ' N ' ' B' ' 59' ' ' LEU . 4.3 mm? -54.54 -3.04 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.41 0.444 . . . . 0.0 110.649 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . 0.546 ' H ' ' C ' ' B' ' 58' ' ' SER . 96.2 m-20 -85.55 -20.6 29.35 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -104.81 15.99 26.83 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.742 0.306 . . . . 0.0 110.749 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -93.03 117.69 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.467 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.506 ' O ' HD12 ' B' ' 77' ' ' LEU . 60.2 ttm-85 -93.21 97.13 10.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.913 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 tp -97.0 132.18 42.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.103 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.4 t -153.72 95.24 1.86 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.706 -0.398 . . . . 0.0 109.969 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.449 ' CD ' ' N ' ' B' ' 67' ' ' GLU . 24.6 tm0? -87.16 151.87 22.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.638 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' B' ' 66' ' ' GLN . 79.4 mt-10 -155.68 131.11 9.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.617 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -142.39 151.06 41.47 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -168.45 139.01 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.584 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.433 ' CG ' ' H ' ' B' ' 71' ' ' GLY . 57.9 t0 56.54 -123.57 1.8 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.433 ' H ' ' CG ' ' B' ' 70' ' ' ASP . . . -110.67 6.07 29.6 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 39.7 ttm -113.43 124.19 51.85 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.935 0.398 . . . . 0.0 110.313 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -115.99 143.41 45.49 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.277 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.1 m -137.73 159.26 34.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 110.02 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.15 131.53 30.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.502 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -113.63 113.95 25.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.126 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.506 HD12 ' O ' ' B' ' 63' ' ' ARG . 42.7 tp -131.34 122.89 27.15 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.537 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . 0.728 HD21 ' CG ' ' B' ' 21' ' ' ARG . 0.2 OUTLIER -126.36 122.89 36.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.944 179.251 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.64 ' N ' HD22 ' B' ' 78' ' ' ASN . 1.9 mp -117.77 141.83 34.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 120.781 0.324 . . . . 0.0 110.387 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 88.6 m -110.67 109.62 19.97 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.563 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.4 mp -78.08 133.09 65.51 Favored Pre-proline 0 C--O 1.237 0.439 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.667 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo . . . . . 0 N--CA 1.491 1.365 0 C-N-CA 122.65 2.234 . . . . 0.0 112.216 179.633 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 . . . . . 0 C--O 1.233 0.221 0 CA-C-O 120.886 0.374 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -117.79 148.1 42.38 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.995 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -134.85 151.37 50.86 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.104 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.7 tp -141.81 116.63 9.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.464 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -116.16 102.82 9.94 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.684 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.3 mt -98.44 113.1 32.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.5 mt -103.8 119.99 53.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.774 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 81.6 mt -108.3 127.43 64.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.027 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.66 123.19 41.31 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.025 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -121.68 125.27 46.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.893 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -123.13 112.4 17.68 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -103.04 128.99 49.67 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.171 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.39 179.906 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 N--CA 1.466 0.339 0 CA-C-O 120.86 0.362 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.622 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 13.3 mt -72.71 -39.38 5.66 Favored Pre-proline 0 C--O 1.235 0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.28 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 57.5 Cg_endo -82.77 -19.41 6.06 Favored 'Trans proline' 0 N--CA 1.488 1.172 0 C-N-CA 122.333 2.022 . . . . 0.0 111.895 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.9 m -75.64 -51.26 13.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.065 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.58 -44.3 74.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.423 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.711 ' CG ' HH11 ' A' ' 44' ' ' ARG . 0.0 OUTLIER -57.15 -41.84 79.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.947 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.39 -51.59 68.14 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.045 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' HG12 ' A' ' 50' ' ' VAL . . . -63.98 -29.89 71.01 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.895 0.379 . . . . 0.0 111.009 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.58 -36.91 76.71 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.9 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.472 ' HG3' ' NH1' ' A' ' 44' ' ' ARG . 17.7 mmt -76.64 -29.68 56.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.463 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -81.17 -42.55 20.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.361 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.574 HG13 ' N ' ' A' ' 51' ' ' LEU . 14.5 p -64.72 -46.7 91.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.555 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.574 ' N ' HG13 ' A' ' 50' ' ' VAL . 3.7 mp -60.55 -56.02 26.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.041 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -50.99 -28.21 9.41 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.706 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -95.47 -73.12 0.6 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.909 0.385 . . . . 0.0 111.731 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 50' ' ' VAL . 32.7 m-85 -57.1 -27.1 61.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' A' ' 51' ' ' LEU . 20.6 t -120.15 159.69 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.021 0.439 . . . . 0.0 110.429 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.446 ' N ' HG12 ' A' ' 55' ' ' VAL . 63.2 t30 -99.41 76.35 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.345 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 m -138.8 132.84 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.17 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.3 t -91.84 142.8 27.17 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 59' ' ' LEU . 10.9 mp -46.74 -14.8 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.352 0.408 . . . . 0.0 110.323 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 61' ' ' ASN . 55.3 p-10 -74.35 -27.42 60.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.585 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.54 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 94.2 m-20 -94.46 16.63 14.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.528 HD12 ' N ' ' A' ' 62' ' ' ILE . 1.5 mp -95.25 160.84 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.466 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 73.5 ttt180 -138.81 97.29 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.002 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.9 mm -83.81 126.07 40.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.501 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -142.92 94.59 2.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.84 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -91.81 145.09 24.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.428 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -149.92 102.76 3.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.088 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -107.21 156.4 18.88 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -165.39 118.8 1.2 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.459 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 48.79 -132.78 1.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.495 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.8 -4.56 88.72 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.501 ' SD ' ' N ' ' A' ' 73' ' ' ASP . 2.5 tpt -101.72 126.05 48.5 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.992 0.425 . . . . 0.0 110.114 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.501 ' N ' ' SD ' ' A' ' 72' ' ' MET . 96.7 m-20 -128.93 143.75 50.98 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.349 179.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -147.14 127.21 4.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.8 tt -108.45 115.62 30.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.102 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -93.41 120.28 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.213 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 tp -125.09 124.16 41.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.466 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -123.74 128.37 49.49 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.389 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.5 mp -128.85 147.39 33.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.947 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.1 m -115.55 110.8 19.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.8 mp -77.97 145.57 70.08 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 N--CA 1.494 1.537 0 C-N-CA 122.673 2.248 . . . . 0.0 112.475 -179.906 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.804 0.335 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -118.35 148.32 42.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.931 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -135.0 152.08 51.4 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.084 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 16.4 tp -142.77 116.18 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.462 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -115.64 103.21 10.47 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.677 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 89.8 mt -98.67 113.04 32.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.372 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 71.2 mt -103.85 119.35 52.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.788 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 80.6 mt -107.81 127.15 64.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.097 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.32 124.09 43.75 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.934 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -122.6 124.88 44.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.887 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -122.59 112.9 18.55 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.844 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -103.41 128.49 50.52 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.263 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.41 179.847 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 . . . . . 0 N--CA 1.465 0.318 0 CA-C-O 120.914 0.388 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.608 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 13.2 mt -72.85 -39.41 5.46 Favored Pre-proline 0 C--O 1.236 0.385 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.386 178.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 59.0 Cg_endo -82.52 -19.05 6.58 Favored 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.309 2.006 . . . . 0.0 111.97 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -75.83 -51.56 12.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.103 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 70.5 mt -68.78 -45.29 71.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.604 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.595 HH11 ' HG2' ' B' ' 44' ' ' ARG . 39.7 ttt-85 -56.33 -42.12 77.16 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.39 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -60.68 -51.76 68.0 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.111 -0.636 . . . . 0.0 111.096 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.556 ' O ' HG12 ' B' ' 50' ' ' VAL . . . -63.85 -29.44 70.63 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.076 0.465 . . . . 0.0 110.769 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 61.5 mt -70.08 -36.54 75.0 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.122 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 18.7 mmt -76.95 -29.7 55.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.276 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -81.54 -42.44 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.637 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.556 HG12 ' O ' ' B' ' 46' ' ' ALA . 13.5 p -64.97 -46.56 91.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.569 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.529 ' N ' HG13 ' B' ' 50' ' ' VAL . 3.9 mp -60.59 -56.01 26.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.062 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -50.76 -28.0 8.33 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.709 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -95.56 -73.37 0.59 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 111.681 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' B' ' 50' ' ' VAL . 32.9 m-85 -56.66 -27.18 58.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.017 -178.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.495 ' O ' ' O ' ' B' ' 51' ' ' LEU . 20.5 t -120.16 159.41 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.116 0.484 . . . . 0.0 110.407 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.444 ' N ' HG12 ' B' ' 55' ' ' VAL . 63.9 t30 -99.26 75.41 2.0 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.456 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 6.1 m -137.7 132.29 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.261 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.481 ' C ' ' N ' ' B' ' 60' ' ' ASP . 1.3 t -91.58 143.15 26.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.727 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.514 HD12 ' N ' ' B' ' 59' ' ' LEU . 10.9 mp -47.0 -14.64 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.412 0.445 . . . . 0.0 110.344 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' B' ' 61' ' ' ASN . 55.6 p-10 -74.46 -26.96 60.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.496 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' B' ' 60' ' ' ASP . 92.9 m-20 -94.99 16.68 15.58 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.535 ' N ' HD12 ' B' ' 62' ' ' ILE . 1.5 mp -95.38 161.03 2.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.464 ' N ' ' CG2' ' B' ' 62' ' ' ILE . 73.4 ttt180 -139.05 97.41 3.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.076 178.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.506 HG13 HH21 ' B' ' 44' ' ' ARG . 25.1 mm -83.64 126.22 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.463 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -143.11 94.46 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.782 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -91.74 145.11 24.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.404 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -150.18 102.44 3.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.003 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -106.55 157.12 17.91 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.026 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -165.93 119.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.443 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 48.31 -131.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.452 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.73 -3.85 85.66 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.518 ' SD ' ' N ' ' B' ' 73' ' ' ASP . 2.1 tpt -102.25 125.77 49.05 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.99 0.424 . . . . 0.0 110.052 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . 0.518 ' N ' ' SD ' ' B' ' 72' ' ' MET . 96.7 m-20 -128.38 143.8 51.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.324 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -146.98 127.22 5.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 6.4 tt -108.14 115.81 30.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.009 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -93.6 119.77 33.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.218 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.4 tp -125.06 124.48 42.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.442 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -124.08 128.31 49.12 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.402 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.6 mp -128.85 147.29 33.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.894 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 29.1 m -115.16 111.49 21.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.56 145.7 67.97 Favored Pre-proline 0 C--O 1.236 0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.452 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo . . . . . 0 N--CA 1.494 1.534 0 C-N-CA 122.713 2.275 . . . . 0.0 112.437 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.401 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 12.4 mpt_? . . . . . 0 C--O 1.235 0.327 0 CA-C-O 121.007 0.432 . . . . 0.0 110.413 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 19' ' ' ARG . 89.5 m-20 -134.94 155.97 49.8 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.353 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -130.71 160.71 33.51 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.093 0.473 . . . . 0.0 110.381 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.16 102.34 5.16 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.693 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -96.39 100.65 12.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.724 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 89.5 mt -102.38 108.13 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.59 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.4 mm -102.64 120.13 51.97 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.023 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 89.2 mt -108.72 133.98 52.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.322 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.19 127.3 35.55 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.518 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.628 ' NE2' ' NH2' ' A' ' 30' ' ' ARG . 49.2 tt0 -127.83 138.05 52.58 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.342 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -134.95 129.32 34.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.367 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.628 ' NH2' ' NE2' ' A' ' 28' ' ' GLN . 88.1 mtt-85 -122.22 138.33 54.52 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.966 0.412 . . . . 0.0 110.264 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.368 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 179.879 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 . . . . . 0 N--CA 1.462 0.152 0 CA-C-O 120.835 0.35 . . . . 0.0 110.659 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.3 mp -64.57 -58.61 12.93 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.488 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 40.3 Cg_endo -67.46 -14.9 44.0 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.765 2.31 . . . . 0.0 111.883 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.4 m -76.37 -58.33 3.35 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.252 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.26 -45.03 93.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.658 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -53.09 -60.09 3.72 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -44.54 -48.44 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.676 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.86 -35.59 76.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.069 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.5 mt -66.42 -41.82 88.66 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.413 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.436 ' N ' ' SD ' ' A' ' 48' ' ' MET . 19.6 mmm -73.54 -22.31 60.13 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -80.62 -45.94 16.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.761 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 54' ' ' TYR . 33.4 m -67.45 -40.92 85.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.011 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' A' ' 55' ' ' VAL . 3.0 mp -60.36 -62.15 2.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.705 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -53.04 -24.02 8.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.557 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -94.6 -74.55 0.54 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.469 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' A' ' 50' ' ' VAL . 54.8 m-85 -62.27 -25.1 67.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.287 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.497 ' O ' ' O ' ' A' ' 51' ' ' LEU . 11.9 t -118.8 160.61 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.092 0.472 . . . . 0.0 110.839 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.452 ' N ' HG12 ' A' ' 55' ' ' VAL . 33.5 m120 -107.73 90.6 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.274 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 m -144.56 134.73 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.5 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.7 m -82.79 156.08 23.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.4 mm? -62.97 -4.74 2.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.785 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -88.15 -23.03 23.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.568 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -91.29 4.98 50.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.92 0.391 . . . . 0.0 110.476 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -96.64 154.4 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.97 0.415 . . . . 0.0 109.957 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -137.2 110.02 7.61 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 177.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.0 mm -93.8 127.95 45.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.436 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.027 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.33 96.77 2.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.106 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -98.31 153.17 18.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -155.82 102.14 2.17 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 121.267 0.556 . . . . 0.0 110.503 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -84.51 138.97 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.47 ' O ' ' O ' ' A' ' 72' ' ' MET . 42.5 tt0 -135.42 121.47 20.03 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-O 121.028 0.442 . . . . 0.0 110.314 178.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -41.05 105.34 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.5 -37.31 3.09 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.47 ' O ' ' O ' ' A' ' 69' ' ' GLN . 0.7 OUTLIER -147.06 174.02 11.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 0.0 110.524 -179.408 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -145.64 146.91 31.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.367 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.59 164.15 34.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.228 0.537 . . . . 0.0 110.256 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 tp -151.45 108.58 3.56 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.844 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -87.65 117.17 26.28 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.151 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.0 tp -126.0 126.35 44.16 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.53 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -128.64 134.66 48.6 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.854 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.7 mp -132.07 151.45 35.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 CA-C-O 120.87 0.367 . . . . 0.0 110.134 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.3 m -114.95 112.77 23.2 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.103 0.478 . . . . 0.0 110.143 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mt -85.99 136.04 36.72 Favored Pre-proline 0 C--O 1.246 0.874 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.694 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo . . . . . 0 C--N 1.315 -1.216 0 C-N-CA 122.742 2.295 . . . . 0.0 112.143 179.439 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? . . . . . 0 C--O 1.236 0.386 0 CA-C-O 120.971 0.415 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -135.22 156.14 49.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.352 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -131.13 160.23 35.33 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.118 0.485 . . . . 0.0 110.42 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.02 102.33 5.18 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.573 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -96.45 100.52 12.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.758 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 87.8 mt -102.18 108.09 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.7 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 20.0 mm -102.36 119.7 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.973 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 91.5 mt -108.37 133.29 53.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.427 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.53 129.0 40.48 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.35 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.608 ' NE2' ' NH2' ' B' ' 30' ' ' ARG . 50.1 tt0 -129.98 137.36 50.26 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.326 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -134.42 129.81 35.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.355 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.608 ' NH2' ' NE2' ' B' ' 28' ' ' GLN . 87.1 mtt-85 -122.21 139.5 53.69 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.394 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.246 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.798 0.332 . . . . 0.0 110.586 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 2.5 mp -69.39 -57.52 6.99 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.624 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 43.0 Cg_endo -68.68 -13.8 37.91 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.803 2.335 . . . . 0.0 111.796 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.8 m -76.15 -57.89 3.6 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.59 -45.91 88.23 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.763 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -51.46 -60.73 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.71 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -44.45 -48.87 10.01 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.841 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.56 75.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.166 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.89 -41.66 86.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.375 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 23.0 mmm -73.22 -22.38 60.44 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -80.78 -45.7 16.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.875 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' B' ' 54' ' ' TYR . 34.0 m -67.46 -41.15 85.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.037 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.508 ' O ' ' O ' ' B' ' 55' ' ' VAL . 2.9 mp -60.39 -61.97 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.788 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.1 t -53.16 -24.14 9.99 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.706 -0.397 . . . . 0.0 110.528 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -94.47 -74.39 0.54 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.482 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.503 ' N ' ' O ' ' B' ' 50' ' ' VAL . 53.1 m-85 -62.29 -25.35 67.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.241 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' B' ' 51' ' ' LEU . 13.2 t -118.84 160.74 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.23 0.538 . . . . 0.0 110.745 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.457 ' N ' HG12 ' B' ' 55' ' ' VAL . 33.1 m120 -107.67 90.65 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.401 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 m -144.54 134.62 19.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.46 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.403 ' C ' ' H ' ' B' ' 60' ' ' ASP . 72.3 m -83.12 155.35 23.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.581 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' B' ' 59' ' ' LEU . 4.5 mm? -63.02 -3.16 1.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' B' ' 58' ' ' SER . 98.1 m-20 -89.27 -22.95 22.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.616 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -91.71 4.35 52.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.584 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.467 ' CG2' ' CD1' ' B' ' 64' ' ' ILE . 1.7 mp -94.81 156.28 3.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.111 0.481 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.422 ' N ' ' CG2' ' B' ' 62' ' ' ILE . 34.3 mtp180 -139.36 106.63 5.51 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.254 177.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.467 ' CD1' ' CG2' ' B' ' 62' ' ' ILE . 1.6 mp -93.3 129.16 44.17 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.056 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.83 98.26 3.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.458 177.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -97.38 152.75 18.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.658 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -155.59 102.16 2.21 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.287 0.565 . . . . 0.0 110.428 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -84.72 139.29 32.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.954 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.454 ' O ' ' O ' ' B' ' 72' ' ' MET . 42.8 tt0 -135.89 120.35 18.09 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.295 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -40.17 105.41 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.38 -37.06 3.18 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.454 ' O ' ' O ' ' B' ' 69' ' ' GLN . 0.8 OUTLIER -147.82 172.94 13.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.915 0.388 . . . . 0.0 110.581 -179.472 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.51 146.6 32.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.457 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 m -133.97 164.38 34.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.237 0.541 . . . . 0.0 110.305 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 tp -151.73 108.29 3.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.791 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -87.34 116.89 25.74 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.371 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 14.8 tp -125.22 127.89 47.46 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.451 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -130.19 134.63 47.42 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.642 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 3.8 mp -132.11 151.83 35.67 Favored 'Isoleucine or valine' 0 C--N 1.34 0.185 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 13.8 m -115.7 111.35 20.46 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.206 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 mt -84.91 135.92 39.34 Favored Pre-proline 0 C--O 1.243 0.743 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.669 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo . . . . . 0 C--N 1.314 -1.26 0 C-N-CA 122.646 2.231 . . . . 0.0 112.152 179.448 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.236 0.376 0 CA-C-O 121.073 0.463 . . . . 0.0 110.235 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 21' ' ' ARG . 42.1 t0 -139.75 138.2 35.71 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.179 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.496 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 97.2 mtt180 -120.22 156.93 30.17 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.346 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.5 mt -133.32 109.49 9.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.604 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.517 HE21 HD11 ' A' ' 25' ' ' ILE . 59.0 tt0 -101.61 94.78 6.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.764 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.6 mt -99.91 112.92 33.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.023 0.439 . . . . 0.0 111.021 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.517 HD11 HE21 ' A' ' 23' ' ' GLN . 90.2 mt -109.39 125.24 66.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.779 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.5 mt -114.09 135.61 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.693 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.17 93.97 3.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.899 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.419 HE21 ' HB2' ' A' ' 73' ' ' ASP . 14.0 pt20 -96.45 141.17 30.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.556 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -128.48 109.11 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -104.82 139.16 39.99 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.171 179.421 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 . . . . . 0 N--CA 1.466 0.367 0 CA-C-O 120.736 0.303 . . . . 0.0 110.64 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 3.3 mp -67.29 -42.81 41.18 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.554 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 26.8 Cg_exo -62.58 -24.46 75.15 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.638 2.225 . . . . 0.0 111.884 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.2 m -77.77 -55.16 5.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.9 mt -65.45 -44.08 88.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -59.4 -45.22 92.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.834 0.35 . . . . 0.0 110.717 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -61.61 -47.94 83.17 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.449 -0.501 . . . . 0.0 111.083 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -60.35 -36.35 77.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.946 0.403 . . . . 0.0 110.726 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.9 mt -71.5 -41.89 68.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.235 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.1 mmt -65.29 -34.12 77.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.701 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -81.2 -43.17 19.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.028 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 46' ' ' ALA . 48.3 t -64.55 -48.75 83.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.577 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 55' ' ' VAL . 71.4 mt -59.2 -55.7 31.63 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.2 t -51.84 -28.27 15.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.801 0.334 . . . . 0.0 110.691 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -93.33 -68.75 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.266 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 50' ' ' VAL . 31.9 m-85 -61.78 -24.29 66.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 51' ' ' LEU . 15.2 t -123.6 156.77 30.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.932 0.396 . . . . 0.0 110.495 -179.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.34 92.91 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.644 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 m -149.75 136.42 12.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.39 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.487 ' C ' ' H ' ' A' ' 60' ' ' ASP . 43.0 t -87.47 151.04 23.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.511 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.495 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.2 mm? -58.9 -2.93 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.431 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' A' ' 58' ' ' SER . 35.8 t70 -88.65 -26.23 21.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -96.8 13.58 28.1 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.703 0.287 . . . . 0.0 110.432 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 26.5 mm -97.74 116.79 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 CA-C-O 121.188 0.518 . . . . 0.0 111.457 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.453 ' O ' HD12 ' A' ' 77' ' ' LEU . 75.7 ttt180 -96.6 101.77 13.44 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.365 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 tp -94.24 135.68 27.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.047 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -146.88 95.9 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.202 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -91.28 148.46 22.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.672 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -153.21 143.87 22.68 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.484 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -139.68 147.68 41.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.823 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -158.02 94.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.182 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 71' ' ' GLY . 20.7 t0 68.74 -152.68 0.15 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.511 ' H ' ' CG ' ' A' ' 70' ' ' ASP . . . -65.11 4.35 1.8 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.476 ' H ' ' C ' ' A' ' 70' ' ' ASP . 51.3 ttm -112.98 133.12 55.09 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.7 0.286 . . . . 0.0 110.626 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.419 ' HB2' HE21 ' A' ' 28' ' ' GLN . 96.7 m-20 -130.78 148.54 52.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.112 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.5 m -135.03 162.87 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.496 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.4 tp -147.16 107.39 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.457 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -94.65 122.45 37.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.135 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 63' ' ' ARG . 54.7 tp -131.54 126.5 35.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.819 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -123.74 118.78 27.99 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.46 138.32 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.011 0.434 . . . . 0.0 110.165 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.9 m -107.12 107.08 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.758 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.6 mp -81.01 141.39 50.58 Favored Pre-proline 0 C--O 1.242 0.672 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.429 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 N--CA 1.49 1.269 0 C-N-CA 122.792 2.328 . . . . 0.0 112.125 -179.588 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.236 0.363 0 CA-C-O 121.033 0.444 . . . . 0.0 110.165 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' B' ' 21' ' ' ARG . 41.9 t0 -139.16 137.53 36.15 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.291 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.509 ' N ' ' OD1' ' B' ' 20' ' ' ASP . 96.8 mtt180 -119.37 157.57 27.9 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.244 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.1 mt -133.85 110.08 9.52 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . 0.459 HE21 HD11 ' B' ' 25' ' ' ILE . 58.8 tt0 -101.93 94.97 6.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.705 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 71.9 mt -100.21 112.35 32.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.006 0.432 . . . . 0.0 111.067 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . 0.459 HD11 HE21 ' B' ' 23' ' ' GLN . 88.6 mt -109.26 125.03 66.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.797 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 95.2 mt -113.88 136.23 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.712 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.81 93.78 3.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.905 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' B' ' 73' ' ' ASP . 14.0 pt20 -96.45 140.98 30.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.511 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -128.01 109.61 11.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.769 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -105.5 139.92 39.38 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.722 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.268 179.48 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 56.2 m-85 . . . . . 0 N--CA 1.466 0.368 0 CA-C-O 120.727 0.299 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 3.6 mp -66.95 -43.5 47.73 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.457 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 27.1 Cg_exo -62.22 -24.56 76.24 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.53 2.154 . . . . 0.0 112.116 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 86.9 m -77.49 -53.91 7.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.07 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.0 mt -66.91 -44.06 81.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.418 ' HD2' HD11 ' B' ' 64' ' ' ILE . 58.9 ttp180 -59.54 -44.24 93.29 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.85 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -62.2 -47.93 82.27 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.042 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.498 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -60.74 -36.09 78.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.932 0.396 . . . . 0.0 110.806 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.84 -42.16 67.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.24 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 18.4 mmt -65.33 -33.73 76.66 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.194 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -81.49 -43.61 18.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 46' ' ' ALA . 49.7 t -64.37 -48.69 84.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.525 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' B' ' 55' ' ' VAL . 73.5 mt -59.09 -55.5 34.27 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.54 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 9.2 t -52.03 -28.23 16.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.675 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -93.43 -69.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.225 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' B' ' 50' ' ' VAL . 32.0 m-85 -61.7 -24.23 66.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.468 ' O ' ' O ' ' B' ' 51' ' ' LEU . 14.5 t -123.39 156.65 29.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.913 0.387 . . . . 0.0 110.532 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.3 93.26 5.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.595 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 4.2 m -149.83 135.79 11.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.32 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.525 ' C ' ' H ' ' B' ' 60' ' ' ASP . 41.6 t -87.42 147.84 25.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.433 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.483 HD22 ' N ' ' B' ' 59' ' ' LEU . 4.2 mm? -55.76 -2.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.703 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . 0.525 ' H ' ' C ' ' B' ' 58' ' ' SER . 38.7 t70 -88.34 -23.69 23.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.531 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -99.47 11.93 37.79 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.629 0.252 . . . . 0.0 110.593 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.418 HD13 ' O ' ' B' ' 58' ' ' SER . 1.0 OUTLIER -95.54 114.4 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 120.996 0.427 . . . . 0.0 110.459 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.467 ' O ' HD12 ' B' ' 77' ' ' LEU . 74.7 ttt180 -94.67 101.37 13.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.271 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.418 HD11 ' HD2' ' B' ' 44' ' ' ARG . 2.4 tp -93.54 134.99 29.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.5 m -146.23 95.77 2.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.109 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -91.18 148.69 22.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.714 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -153.29 143.87 22.59 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.509 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -139.63 147.19 40.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.685 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -157.57 95.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.261 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.504 ' CG ' ' H ' ' B' ' 71' ' ' GLY . 20.5 t0 67.83 -151.96 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.543 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . 0.504 ' H ' ' CG ' ' B' ' 70' ' ' ASP . . . -65.6 4.42 2.16 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.453 ' H ' ' C ' ' B' ' 70' ' ' ASP . 9.0 tpp -112.9 133.96 54.63 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-O 120.762 0.315 . . . . 0.0 110.708 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . 0.433 ' HB2' HE21 ' B' ' 28' ' ' GLN . 96.3 m-20 -131.46 146.74 52.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.153 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 6.4 m -133.86 161.82 40.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.579 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 43.3 tp -146.61 108.02 4.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.602 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -95.18 123.94 38.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.084 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.467 HD12 ' O ' ' B' ' 63' ' ' ARG . 53.0 tp -133.0 125.61 30.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.799 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -122.56 119.08 29.8 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.867 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.52 138.39 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.023 0.44 . . . . 0.0 110.308 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 91.0 m -107.67 106.87 17.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.782 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 mp -80.92 141.88 51.5 Favored Pre-proline 0 C--O 1.241 0.619 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.322 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo . . . . . 0 C--N 1.317 -1.122 0 C-N-CA 122.895 2.396 . . . . 0.0 112.179 -179.768 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.1 mmt-85 . . . . . 0 CA--C 1.517 -0.303 0 CA-C-O 120.667 0.27 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.32 137.53 52.37 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.738 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.427 ' CG ' HD21 ' A' ' 78' ' ' ASN . 43.2 ttm180 -134.6 158.2 44.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.541 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.99 110.07 5.62 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.611 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -102.99 102.12 12.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.184 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.8 mt -102.6 112.68 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 120.912 0.387 . . . . 0.0 110.656 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.04 125.24 56.24 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.5 mt -112.0 131.28 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.498 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -127.35 108.62 11.0 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.732 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -103.66 115.95 31.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.684 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -115.0 116.73 28.93 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.658 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -120.57 136.99 54.64 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.049 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.474 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 . . . . . 0 N--CA 1.463 0.185 0 CA-C-O 121.06 0.457 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 2.6 mt -56.55 -61.04 7.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.327 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 20.0 Cg_endo -60.13 -14.6 29.53 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.544 2.163 . . . . 0.0 111.711 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.1 m -73.83 -55.06 6.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.87 -49.98 58.99 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.783 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.518 ' O ' ' SD ' ' A' ' 48' ' ' MET . 70.7 ttp85 -48.96 -56.31 9.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.802 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -50.1 -49.98 49.85 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.718 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -57.42 -36.16 71.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 0.0 110.434 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.52 -41.54 75.88 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.445 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -62.86 -31.37 72.39 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.574 -179.068 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -85.77 -41.4 15.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.198 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 54' ' ' TYR . 55.5 t -65.67 -47.94 84.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.497 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 55' ' ' VAL . 81.9 mt -60.81 -56.47 20.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.054 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.0 t -53.08 -23.54 8.08 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.878 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -96.94 -71.42 0.68 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.522 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 50' ' ' VAL . 46.0 m-85 -61.19 -27.35 68.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.354 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' A' ' 51' ' ' LEU . 19.7 t -116.96 158.79 17.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.009 0.433 . . . . 0.0 110.435 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.443 ' N ' HG12 ' A' ' 55' ' ' VAL . 91.6 m-20 -99.27 72.62 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.597 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.0 m -138.17 133.86 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.412 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.0 p -89.55 166.84 13.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.442 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.77 -15.67 63.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.534 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -82.44 -25.69 33.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -97.88 8.1 45.27 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 120.799 0.333 . . . . 0.0 110.514 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.3 mt -102.52 122.36 54.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.075 0.464 . . . . 0.0 110.518 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -93.32 134.58 35.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.782 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.4 mt -131.34 137.46 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.638 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.423 ' OG ' ' OE2' ' A' ' 67' ' ' GLU . 9.3 t -152.37 128.13 10.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.335 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -115.78 150.85 36.25 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.575 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 55.7 mp0 -144.02 101.35 3.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.374 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -82.0 133.09 35.27 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.215 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.449 ' O ' ' O ' ' A' ' 72' ' ' MET . 39.6 tp60 -165.51 117.76 1.13 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.853 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.547 ' C ' ' H ' ' A' ' 72' ' ' MET . 96.4 m-20 54.38 -170.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.194 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.93 25.08 0.41 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.547 ' H ' ' C ' ' A' ' 70' ' ' ASP . 42.7 ttp -138.61 117.28 12.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.888 0.375 . . . . 0.0 110.058 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -102.33 150.99 22.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.355 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.433 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 60.0 t -133.69 120.05 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.335 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tp -109.13 108.27 18.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.072 0.463 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -85.86 109.74 18.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.866 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 tp -116.26 128.19 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.656 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.685 HD22 ' N ' ' A' ' 79' ' ' ILE . 0.9 OUTLIER -133.4 126.26 30.86 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.415 179.555 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.685 ' N ' HD22 ' A' ' 78' ' ' ASN . 3.8 mp -120.2 143.4 32.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -111.7 107.28 16.32 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.9 mp -78.43 133.83 63.1 Favored Pre-proline 0 C--O 1.242 0.704 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.509 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo . . . . . 0 N--CA 1.487 1.102 0 C-N-CA 122.769 2.313 . . . . 0.0 112.057 -179.862 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' B' ' 19' ' ' ARG . 2.0 tpt180 . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.559 0.219 . . . . 0.0 111.071 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.36 139.4 47.95 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 116.341 -0.391 . . . . 0.0 109.965 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.432 ' CG ' HD21 ' B' ' 78' ' ' ASN . 43.4 ttm180 -136.06 157.59 46.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.559 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.31 111.59 6.53 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.735 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -104.45 101.37 11.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.109 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 83.2 mt -101.85 112.87 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.976 0.417 . . . . 0.0 110.826 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.04 124.75 56.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.772 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 94.8 mt -111.79 131.39 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.485 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -127.25 108.7 11.1 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.782 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -103.6 117.09 33.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.554 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -116.42 115.3 25.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 32.1 ptt-85 -118.07 136.08 53.79 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.26 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.496 -179.944 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 . . . . . 0 N--CA 1.464 0.232 0 CA-C-O 120.971 0.415 . . . . 0.0 110.274 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 2.5 mt -57.88 -61.12 7.99 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 21.6 Cg_endo -60.08 -15.2 32.39 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.639 2.226 . . . . 0.0 111.835 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 8.4 m -73.48 -54.85 7.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 mt -68.39 -49.96 56.35 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.694 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.521 ' O ' ' SD ' ' B' ' 48' ' ' MET . 70.6 ttp85 -48.71 -56.44 8.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.718 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -50.0 -50.75 46.12 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.698 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.438 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -56.84 -36.25 69.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.177 0.513 . . . . 0.0 110.504 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.23 -41.75 76.59 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.43 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' B' ' 48' ' ' MET . 0.0 OUTLIER -62.88 -31.2 72.19 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.614 -179.05 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -85.6 -41.72 14.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.175 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' B' ' 54' ' ' TYR . 53.7 t -65.34 -47.88 85.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.415 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' B' ' 55' ' ' VAL . 84.0 mt -61.03 -56.11 24.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.305 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 29.5 t -53.03 -23.52 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.793 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -97.48 -71.1 0.7 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.477 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' B' ' 50' ' ' VAL . 44.6 m-85 -61.16 -27.51 68.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.3 -178.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.448 HG12 ' N ' ' B' ' 56' ' ' ASN . 18.8 t -117.06 159.08 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.961 0.41 . . . . 0.0 110.456 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.448 ' N ' HG12 ' B' ' 55' ' ' VAL . 91.2 m-20 -99.45 72.46 1.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.601 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 m -138.09 133.88 44.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.378 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 87.5 p -89.75 167.34 12.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.392 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.0 mt -68.12 -15.46 63.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.443 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -82.67 -26.31 32.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -97.27 8.19 45.05 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 120.72 0.295 . . . . 0.0 110.411 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 12.7 mt -102.73 122.29 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.989 0.423 . . . . 0.0 110.59 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -93.48 135.16 35.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.626 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 96.2 mt -131.95 137.53 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.814 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.5 t -152.15 130.9 12.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.28 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -118.53 150.56 39.43 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.474 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' B' ' 67' ' ' GLU . 55.3 mp0 -143.97 102.55 3.91 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.105 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -83.24 131.85 35.08 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.933 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.46 ' O ' ' O ' ' B' ' 72' ' ' MET . 0.2 OUTLIER -161.31 123.1 2.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.206 178.614 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' B' ' 72' ' ' MET . 95.5 m-20 48.54 -166.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.93 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.23 25.71 0.85 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.492 ' H ' ' C ' ' B' ' 70' ' ' ASP . 42.5 ttp -138.7 115.87 11.03 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.877 0.37 . . . . 0.0 110.251 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -100.92 151.79 21.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.432 ' O ' ' OE1' ' B' ' 67' ' ' GLU . 61.2 t -134.38 120.04 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.246 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tp -109.34 108.66 19.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -85.88 110.34 19.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.935 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 tp -116.84 128.59 55.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.569 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . 0.693 HD22 ' N ' ' B' ' 79' ' ' ILE . 0.8 OUTLIER -133.76 127.14 32.13 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 179.668 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.693 ' N ' HD22 ' B' ' 78' ' ' ASN . 3.8 mp -121.35 143.68 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 1.5 m -111.93 106.92 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.457 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.9 mp -77.89 133.4 65.83 Favored Pre-proline 0 C--O 1.243 0.76 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.394 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo . . . . . 0 N--CA 1.487 1.129 0 C-N-CA 122.664 2.243 . . . . 0.0 112.178 -179.816 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? . . . . . 0 N--CA 1.468 0.445 0 CA-C-O 121.505 0.669 . . . . 0.0 110.542 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.91 164.91 30.52 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.026 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.2 mtm-85 -135.96 155.23 50.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.454 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.99 99.44 4.43 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.301 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -94.85 95.89 8.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.463 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 91.5 mt -96.32 111.39 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.0 mt -113.11 131.94 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.2 mt -126.26 144.7 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.474 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.96 103.07 6.1 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.101 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -95.72 122.47 38.52 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.235 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 17.5 mp0 -117.34 111.6 19.57 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.142 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -105.49 125.6 51.17 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.176 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.128 179.952 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 . . . . . 0 N--CA 1.468 0.458 0 CA-C-O 120.786 0.327 . . . . 0.0 110.679 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.574 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 6.5 mt -64.97 -49.27 68.85 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 58.2 Cg_endo -72.19 -14.29 28.62 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.345 2.03 . . . . 0.0 112.065 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -77.38 -58.93 3.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.942 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.22 -44.19 89.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.945 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.73 ' HE ' HD12 ' A' ' 64' ' ' ILE . 59.1 ttt-85 -57.97 -53.74 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.13 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -50.53 -45.38 56.77 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.879 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.49 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -63.49 -33.5 75.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.32 -44.1 63.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.945 0.402 . . . . 0.0 111.55 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.8 mtp -66.33 -32.65 74.19 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.655 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -81.76 -43.61 18.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.013 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 46' ' ' ALA . 48.6 t -66.21 -47.33 84.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 O-C-N 123.262 0.351 . . . . 0.0 110.401 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 55' ' ' VAL . 63.5 mt -59.7 -51.39 69.97 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.575 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.6 m -61.32 -23.9 66.06 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.006 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -92.6 -47.87 6.89 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.839 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -84.88 -24.58 28.45 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.995 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 51' ' ' LEU . 41.1 t -122.45 138.63 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 121.061 0.458 . . . . 0.0 110.597 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -75.22 77.06 2.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.862 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.9 132.64 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.363 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.516 ' OG ' ' ND2' ' A' ' 61' ' ' ASN . 18.5 p -86.34 139.99 30.46 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.592 ' HA ' HD13 ' A' ' 62' ' ' ILE . 57.9 mt -45.75 -35.03 4.0 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.598 0.561 . . . . 0.0 110.84 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -69.01 -14.76 63.23 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.282 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.633 ' C ' HD12 ' A' ' 62' ' ' ILE . 98.6 m-20 -99.89 20.27 14.59 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.711 0.291 . . . . 0.0 110.951 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.634 HD12 ' N ' ' A' ' 62' ' ' ILE . 2.3 mp -115.51 130.26 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.07 0.462 . . . . 0.0 110.583 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -87.14 113.44 22.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.016 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.73 HD12 ' HE ' ' A' ' 44' ' ' ARG . 42.2 mm -94.38 122.37 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.956 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -145.04 95.2 2.65 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.698 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.478 HE21 HD22 ' A' ' 40' ' ' LEU . 48.4 tt0 -97.93 154.91 17.34 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.731 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -146.15 101.39 3.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.154 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -93.08 143.86 25.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.772 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 72' ' ' MET . 1.6 tp-100 -150.37 160.77 43.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.384 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 72' ' ' MET . 37.7 t70 -65.5 121.82 15.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.98 -34.91 0.62 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.483 ' H ' ' C ' ' A' ' 70' ' ' ASP . 54.0 tpp -108.55 146.39 33.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.414 . . . . 0.0 110.453 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 72' ' ' MET . 87.8 m-20 -145.55 137.34 25.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.095 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 75' ' ' LEU . 53.7 t -131.29 157.37 43.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.908 0.385 . . . . 0.0 110.02 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.469 ' N ' HG12 ' A' ' 74' ' ' VAL . 47.4 tp -139.83 115.37 10.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.566 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -103.41 108.41 19.65 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.929 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.521 HD11 ' CG2' ' A' ' 62' ' ' ILE . 38.5 tp -122.83 123.53 41.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.311 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.71 HD22 ' N ' ' A' ' 79' ' ' ILE . 0.6 OUTLIER -128.18 121.01 28.44 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.208 179.378 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.71 ' N ' HD22 ' A' ' 78' ' ' ASN . 4.0 mp -115.7 143.94 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.719 0.295 . . . . 0.0 110.582 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 79.1 m -109.79 116.33 31.48 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.884 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.5 mp -81.87 131.08 58.24 Favored Pre-proline 0 C--O 1.24 0.604 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.716 -178.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo . . . . . 0 N--CA 1.491 1.341 0 C-N-CA 122.766 2.311 . . . . 0.0 112.37 179.911 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? . . . . . 0 C--O 1.24 0.556 0 CA-C-O 121.421 0.629 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.51 164.79 30.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.066 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 84.7 mtm-85 -136.1 155.68 49.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.504 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.55 99.49 4.36 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.422 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -94.74 95.59 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.416 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 91.4 mt -95.99 111.1 25.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.345 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 94.6 mt -112.78 132.17 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.02 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 72.0 mt -126.66 144.85 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.411 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.09 103.36 6.23 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.243 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -96.07 121.77 38.19 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.223 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' B' ' 29' ' ' GLU . 20.8 mp0 -117.07 111.74 19.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.034 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 ttp85 -105.15 126.05 51.65 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.19 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.163 179.893 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 . . . . . 0 N--CA 1.467 0.417 0 CA-C-O 120.807 0.337 . . . . 0.0 110.743 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.561 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 6.6 mt -66.2 -49.0 57.3 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.6 179.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 58.8 Cg_endo -72.9 -14.07 26.54 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.359 2.04 . . . . 0.0 112.066 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 86.5 m -77.48 -59.31 2.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.76 -44.48 89.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.832 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.725 ' HE ' HD12 ' B' ' 64' ' ' ILE . 59.3 ttt-85 -57.13 -56.59 19.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -47.83 -45.42 29.84 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.939 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.483 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -63.44 -33.84 76.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.776 0.322 . . . . 0.0 110.757 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' B' ' 47' ' ' LEU . 88.2 mt -72.46 -44.46 62.31 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.024 0.44 . . . . 0.0 111.561 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . 0.495 ' CE ' HG21 ' B' ' 62' ' ' ILE . 89.8 mmm -65.71 -32.73 74.44 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.586 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -82.27 -42.98 18.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.03 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 46' ' ' ALA . 44.1 t -66.37 -47.26 84.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.367 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' B' ' 55' ' ' VAL . 62.3 mt -59.88 -51.91 67.71 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.735 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 38.2 m -59.48 -25.32 64.32 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.337 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -92.45 -49.77 5.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.728 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -81.49 -25.33 36.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.32 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' B' ' 51' ' ' LEU . 40.9 t -122.42 137.74 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.068 0.461 . . . . 0.0 110.717 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -74.6 77.33 2.0 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.893 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -140.33 132.25 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.311 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.514 ' O ' ' CD1' ' B' ' 62' ' ' ILE . 18.5 p -85.93 139.96 30.77 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.591 ' HA ' HD13 ' B' ' 62' ' ' ILE . 57.5 mt -45.79 -34.92 4.0 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.646 0.591 . . . . 0.0 110.944 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -68.89 -15.01 63.38 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.336 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . 0.642 ' C ' HD12 ' B' ' 62' ' ' ILE . 98.6 m-20 -99.51 19.58 15.44 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.6 0.238 . . . . 0.0 110.897 -179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.642 HD12 ' C ' ' B' ' 61' ' ' ASN . 2.2 mp -114.9 130.18 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.056 0.455 . . . . 0.0 110.569 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -87.0 113.48 22.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.102 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.725 HD12 ' HE ' ' B' ' 44' ' ' ARG . 42.5 mm -94.55 122.1 45.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.078 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.5 m -144.87 95.22 2.66 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.651 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.48 HE21 HD22 ' B' ' 40' ' ' LEU . 48.8 tt0 -97.89 154.85 17.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.698 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -145.88 101.65 3.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.213 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -93.55 142.77 26.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.836 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' B' ' 72' ' ' MET . 1.6 tp-100 -148.51 161.4 41.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.399 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.495 ' C ' ' H ' ' B' ' 72' ' ' MET . 36.9 t70 -66.46 122.8 18.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.59 -33.87 0.58 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.495 ' H ' ' C ' ' B' ' 70' ' ' ASP . 31.4 ttm -110.85 148.01 33.32 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.956 0.408 . . . . 0.0 110.764 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 72' ' ' MET . 85.4 m-20 -146.19 139.42 25.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.199 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . 0.472 HG12 ' N ' ' B' ' 75' ' ' LEU . 53.3 t -132.76 157.58 43.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.992 0.425 . . . . 0.0 109.973 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.472 ' N ' HG12 ' B' ' 74' ' ' VAL . 47.4 tp -140.0 115.63 10.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.56 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -103.79 107.31 18.13 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.963 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.536 HD11 ' CG2' ' B' ' 62' ' ' ILE . 39.0 tp -121.73 123.97 43.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.196 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . 0.685 HD22 ' N ' ' B' ' 79' ' ' ILE . 0.7 OUTLIER -128.86 121.06 27.4 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.143 179.393 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.685 ' N ' HD22 ' B' ' 78' ' ' ASN . 4.0 mp -115.7 144.47 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 120.744 0.307 . . . . 0.0 110.501 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 88.3 m -110.3 116.44 31.47 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.846 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.637 HD12 ' N ' ' B' ' 81' ' ' LEU . 9.4 mp -81.97 131.02 58.13 Favored Pre-proline 0 C--O 1.241 0.61 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.667 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 N--CA 1.492 1.427 0 C-N-CA 122.849 2.366 . . . . 0.0 112.49 179.953 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.364 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.568 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 7.1 p-10 -131.77 145.25 51.49 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.129 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.645 ' O ' HD12 ' A' ' 22' ' ' LEU . 77.9 mtp85 -124.67 158.06 34.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.087 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.645 HD12 ' O ' ' A' ' 21' ' ' ARG . 4.0 mp -127.83 123.98 36.46 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.346 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -119.56 96.29 5.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.31 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 94.9 mt -101.1 106.83 20.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.9 mt -103.1 126.5 57.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 86.6 mt -119.48 143.28 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.418 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -139.49 107.28 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.094 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -100.01 132.17 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.66 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.31 109.24 13.11 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.545 HH22 ' CG ' ' A' ' 73' ' ' ASP . 63.3 mtm-85 -110.37 137.96 47.39 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.985 0.421 . . . . 0.0 110.522 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.51 -0.59 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.241 179.603 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 C--O 1.236 0.377 0 CA-C-O 121.005 0.431 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.601 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -67.57 -44.05 43.07 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.531 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 23.9 Cg_exo -66.08 -14.21 43.37 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.762 2.308 . . . . 0.0 111.563 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.7 m -83.2 -49.38 9.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.826 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.06 -43.84 90.97 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.747 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.446 ' O ' ' SD ' ' A' ' 48' ' ' MET . 60.1 ttp180 -60.89 -51.69 68.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -54.84 -46.97 74.71 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.592 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.25 -37.67 72.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.675 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.33 -42.13 72.31 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.937 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.598 ' N ' ' SD ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -61.62 -32.76 72.91 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 120.93 0.395 . . . . 0.0 110.885 -179.389 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -84.1 -41.44 17.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.339 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.15 -48.28 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.176 0.512 . . . . 0.0 110.93 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.545 HD13 HG21 ' A' ' 55' ' ' VAL . 3.3 mm? -60.65 -54.29 47.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.22 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.0 m -56.55 -24.29 46.04 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.131 -0.627 . . . . 0.0 110.887 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -93.26 -76.02 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.845 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -58.59 -25.44 62.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.397 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.545 HG21 HD13 ' A' ' 51' ' ' LEU . 18.7 t -118.2 149.11 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.254 0.55 . . . . 0.0 110.715 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -93.23 87.17 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.285 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 m -141.41 131.59 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.397 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.59 ' C ' ' H ' ' A' ' 60' ' ' ASP . 34.5 t -80.7 142.33 34.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.204 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mt -54.24 -0.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.234 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.59 ' H ' ' C ' ' A' ' 58' ' ' SER . 34.5 t70 -88.71 -20.79 24.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.528 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -101.68 14.16 32.78 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.708 0.289 . . . . 0.0 110.574 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.463 HD12 ' N ' ' A' ' 62' ' ' ILE . 1.6 mp -93.47 109.9 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 0.0 110.597 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.434 ' O ' HD12 ' A' ' 77' ' ' LEU . 43.0 ttm180 -95.52 123.44 39.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.89 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 95.9 mt -122.97 139.67 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.6 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t -153.86 95.77 1.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.145 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -86.67 153.2 21.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -147.93 146.69 29.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -138.96 137.2 36.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.73 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.36 127.95 0.12 Allowed 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.663 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 72' ' ' MET . 22.9 t0 54.92 58.31 4.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.674 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 44.67 17.52 0.09 OUTLIER Glycine 0 C--O 1.239 0.409 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 70' ' ' ASP . 32.1 ttm -116.63 99.75 7.35 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.926 0.394 . . . . 0.0 110.466 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.545 ' CG ' HH22 ' A' ' 30' ' ' ARG . 93.1 m-20 -91.0 140.36 29.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.462 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -132.6 118.54 35.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.516 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.438 ' HB2' HD21 ' A' ' 40' ' ' LEU . 6.1 tp -106.22 104.47 14.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.747 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -89.28 120.19 30.43 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.793 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.545 HD23 HD11 ' A' ' 79' ' ' ILE . 6.7 tp -126.43 130.24 50.3 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.749 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.452 HD22 ' N ' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -132.33 124.08 28.09 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.202 179.257 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.6 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.8 mp -123.95 151.14 28.69 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.307 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.1 m -113.55 115.42 27.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.721 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.461 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 10.0 mp -85.53 117.82 69.49 Favored Pre-proline 0 C--O 1.246 0.895 0 O-C-N 123.448 0.468 . . . . 0.0 110.576 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo . . . . . 0 C--N 1.318 -1.029 0 C-N-CA 122.667 2.245 . . . . 0.0 111.841 178.853 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.236 0.386 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.567 ' N ' ' OD1' ' B' ' 20' ' ' ASP . 7.2 p-10 -131.5 145.06 51.57 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.021 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.626 ' O ' HD12 ' B' ' 22' ' ' LEU . 78.4 mtp85 -124.72 157.26 36.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.051 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.626 HD12 ' O ' ' B' ' 21' ' ' ARG . 4.2 mp -127.01 124.47 39.46 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.456 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -119.86 95.5 4.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.238 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 95.4 mt -100.5 107.03 20.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.976 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.2 mt -103.21 127.72 56.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.693 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 85.2 mt -121.1 141.72 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.424 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -138.09 107.56 6.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.078 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -100.26 131.35 46.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.9 109.6 14.36 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.551 HH22 ' CG ' ' B' ' 73' ' ' ASP . 64.3 mtm-85 -111.16 137.39 48.91 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.069 0.462 . . . . 0.0 110.346 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.469 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.308 179.61 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 C--O 1.238 0.485 0 CA-C-O 121.114 0.483 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.596 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 0.5 OUTLIER -66.52 -44.33 55.27 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.549 -179.819 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 24.7 Cg_exo -65.27 -15.01 48.06 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.686 2.257 . . . . 0.0 111.716 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 33.5 m -81.95 -49.32 10.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.02 -43.63 91.8 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.777 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.484 ' O ' ' SD ' ' B' ' 48' ' ' MET . 60.3 ttp180 -61.04 -51.1 70.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -55.45 -46.74 76.73 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.578 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.93 73.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.935 0.398 . . . . 0.0 110.577 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 47' ' ' LEU . 97.7 mt -70.14 -41.78 73.41 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.989 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . 0.6 ' N ' ' SD ' ' B' ' 48' ' ' MET . 0.0 OUTLIER -61.74 -33.85 74.79 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.969 0.414 . . . . 0.0 110.942 -179.47 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -83.08 -41.96 17.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.5 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.53 -48.82 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.051 0.453 . . . . 0.0 110.86 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.526 HD13 HG21 ' B' ' 55' ' ' VAL . 3.1 mm? -59.94 -54.8 41.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.319 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 30.0 m -55.83 -25.33 41.25 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.732 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -92.46 -76.61 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.914 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -57.81 -25.64 60.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.471 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.526 HG21 HD13 ' B' ' 51' ' ' LEU . 19.9 t -118.29 148.76 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.273 0.559 . . . . 0.0 110.757 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -92.8 88.8 6.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.207 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 m -142.88 132.74 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.015 0.436 . . . . 0.0 110.301 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.582 ' C ' ' H ' ' B' ' 60' ' ' ASP . 29.5 t -81.65 141.69 33.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.25 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 8.5 mt -53.56 -1.12 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.711 0.291 . . . . 0.0 111.223 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . 0.582 ' H ' ' C ' ' B' ' 58' ' ' SER . 32.8 t70 -88.4 -20.75 24.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.45 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -101.42 13.18 35.82 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.639 0.257 . . . . 0.0 110.655 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.454 ' N ' HD12 ' B' ' 62' ' ' ILE . 1.6 mp -92.46 110.18 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.947 0.404 . . . . 0.0 110.7 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.446 ' O ' HD12 ' B' ' 77' ' ' LEU . 42.9 ttm180 -95.55 123.63 39.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.822 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 96.1 mt -123.38 138.97 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.747 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.6 t -153.11 96.39 2.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.156 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -87.24 152.74 22.05 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -147.63 147.2 29.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.539 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -139.53 137.6 35.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.699 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.14 128.53 0.1 Allowed 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.665 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' B' ' 72' ' ' MET . 22.4 t0 54.64 55.65 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.835 0.35 . . . . 0.0 110.82 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 47.54 14.48 0.21 Allowed Glycine 0 CA--C 1.52 0.364 0 N-CA-C 111.296 -0.721 . . . . 0.0 111.296 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.447 ' N ' ' C ' ' B' ' 70' ' ' ASP . 55.1 tpp -113.1 98.92 7.45 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . 0.551 ' CG ' HH22 ' B' ' 30' ' ' ARG . 92.5 m-20 -89.85 140.84 29.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.316 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 83.6 t -133.4 118.56 31.75 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.507 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.422 ' HB2' HD21 ' B' ' 40' ' ' LEU . 6.1 tp -106.32 104.83 14.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -89.46 118.78 29.36 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.967 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.537 HD23 HD11 ' B' ' 79' ' ' ILE . 7.7 tp -124.63 130.14 51.87 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.767 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . 0.477 HD22 ' N ' ' B' ' 79' ' ' ILE . 0.8 OUTLIER -132.48 123.24 26.23 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.129 179.127 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.596 HD12 ' N ' ' B' ' 79' ' ' ILE . 1.6 mp -123.3 151.66 27.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.448 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 29.4 m -114.09 115.74 28.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.678 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.447 ' O ' ' OD1' ' B' ' 20' ' ' ASP . 9.9 mp -86.11 117.73 69.2 Favored Pre-proline 0 C--O 1.245 0.843 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.627 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo . . . . . 0 C--N 1.317 -1.091 0 C-N-CA 122.578 2.186 . . . . 0.0 111.933 179.052 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HG3' ' H ' ' A' ' 20' ' ' ASP . 2.8 tpt180 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.931 0.396 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.429 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 86.7 m-20 -132.33 145.86 51.57 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.317 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.0 ttm105 -137.35 156.87 47.71 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.709 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.88 100.52 4.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.867 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -94.65 97.1 9.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.98 0.419 . . . . 0.0 110.333 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -98.6 108.57 22.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.296 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 94.8 mt -111.37 121.3 63.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 86.6 mt -114.02 118.57 58.77 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.116 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.2 97.17 6.9 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.418 ' NE2' ' CD1' ' A' ' 39' ' ' TYR . 6.6 tt0 -101.47 141.34 34.49 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.858 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 12.7 mp0 -134.88 111.89 10.23 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.271 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -117.54 137.43 52.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.029 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.07 179.246 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 9.4 p90 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.814 0.34 . . . . 0.0 110.8 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.593 HD23 HD12 ' A' ' 75' ' ' LEU . 3.0 mt -56.49 -61.92 5.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.769 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 40' ' ' LEU . 48.2 Cg_endo -67.77 -11.66 32.84 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.735 2.29 . . . . 0.0 112.095 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.7 m -76.87 -53.1 8.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.06 -42.9 83.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.592 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -58.86 -50.95 72.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -55.76 -46.87 77.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.05 -37.89 84.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.941 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.94 -41.98 73.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.132 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.426 ' HE1' HD11 ' A' ' 77' ' ' LEU . 17.1 mmt -66.1 -30.08 70.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.413 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -84.36 -43.83 14.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' TYR . 42.4 t -64.68 -50.01 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.759 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.514 ' O ' ' O ' ' A' ' 55' ' ' VAL . 67.8 mt -60.25 -55.63 31.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.118 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.3 t -51.46 -25.62 6.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.946 0.403 . . . . 0.0 110.667 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -95.45 -70.54 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.369 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' VAL . 43.8 m-85 -62.13 -25.53 67.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' A' ' 51' ' ' LEU . 23.1 t -120.13 156.05 23.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.285 0.564 . . . . 0.0 110.828 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.426 ' N ' HG12 ' A' ' 55' ' ' VAL . 42.6 t-20 -101.69 90.45 4.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.824 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.17 130.24 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.302 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.558 ' C ' ' H ' ' A' ' 60' ' ' ASP . 70.0 m -83.79 143.56 29.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.455 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.4 mm? -51.49 -4.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.946 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.558 ' H ' ' C ' ' A' ' 58' ' ' SER . 97.8 m-20 -88.49 -22.86 23.42 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.186 0.517 . . . . 0.0 110.704 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -96.96 11.38 36.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.93 0.395 . . . . 0.0 110.816 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 63' ' ' ARG . 1.7 mp -92.86 159.63 2.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.09 0.471 . . . . 0.0 109.852 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.494 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 67.0 ttt180 -132.38 109.47 9.87 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.646 177.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.5 mm -94.84 120.95 44.98 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.192 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 p -148.11 100.91 3.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.153 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.454 HE21 HD22 ' A' ' 40' ' ' LEU . 42.2 tt0 -99.06 150.28 22.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.839 0.352 . . . . 0.0 110.449 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -145.5 141.64 28.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.012 0.434 . . . . 0.0 110.701 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -152.68 133.92 14.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.628 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -174.28 116.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.69 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 72' ' ' MET . 15.5 t0 72.8 62.99 0.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.033 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 44.21 16.05 0.05 OUTLIER Glycine 0 C--O 1.239 0.437 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.528 ' N ' ' O ' ' A' ' 70' ' ' ASP . 54.0 ttm -109.08 108.57 19.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.021 0.439 . . . . 0.0 110.287 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -95.59 120.17 35.37 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.33 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.9 t -122.75 108.47 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 121.041 0.448 . . . . 0.0 110.324 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.593 HD12 HD23 ' A' ' 40' ' ' LEU . 1.3 tt -94.55 110.21 22.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.571 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.456 ' N ' HD23 ' A' ' 75' ' ' LEU . 83.3 tt0 -97.71 118.67 34.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.127 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 63' ' ' ARG . 11.6 tp -135.62 130.76 34.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.627 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -132.04 130.57 41.52 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.206 0.527 . . . . 0.0 110.361 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 79' ' ' ILE . 2.9 mp -128.64 150.35 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.807 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.4 m -116.9 113.79 22.95 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 mp -83.71 140.79 41.04 Favored Pre-proline 0 C--O 1.238 0.496 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.422 ' HA ' ' HE ' ' A' ' 19' ' ' ARG . 59.5 Cg_endo . . . . . 0 C--N 1.31 -1.463 0 C-N-CA 122.762 2.308 . . . . 0.0 112.396 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' ARG . . . . . 0.423 ' HG3' ' H ' ' B' ' 20' ' ' ASP . 2.8 tpt180 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.423 ' H ' ' HG3' ' B' ' 19' ' ' ARG . 86.2 m-20 -132.33 145.6 51.38 Favored 'General case' 0 C--N 1.335 -0.03 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.359 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 21' ' ' ARG . 28.2 ttm105 -137.11 156.57 48.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.699 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.48 100.57 4.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -94.44 96.88 9.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.03 0.443 . . . . 0.0 110.244 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -98.68 108.51 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.434 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 90.5 mt -111.17 122.47 65.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 86.2 mt -115.13 118.13 57.82 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.058 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.77 96.66 6.54 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.404 ' NE2' ' CD1' ' B' ' 39' ' ' TYR . 6.7 tt0 -100.77 141.08 34.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.41 . . . . 0.0 110.926 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' B' ' 29' ' ' GLU . 10.4 mp0 -134.34 111.93 10.59 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.303 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -117.92 138.01 52.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.973 0.415 . . . . 0.0 111.028 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.223 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.101 179.348 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' B' ' 40' ' ' LEU . 9.2 p90 . . . . . 0 N--CA 1.458 -0.026 0 CA-C-O 120.871 0.367 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.661 HD23 HD12 ' B' ' 75' ' ' LEU . 3.2 mt -55.34 -61.47 6.0 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.669 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' B' ' 40' ' ' LEU . 45.5 Cg_endo -67.83 -11.93 33.73 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.762 2.308 . . . . 0.0 112.045 178.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.7 m -77.14 -52.9 8.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.274 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.16 -42.77 83.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -59.21 -50.59 73.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.769 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -56.15 -46.68 79.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.552 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.15 -37.64 83.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.26 -42.02 72.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.141 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . 0.409 ' HE1' HD11 ' B' ' 77' ' ' LEU . 17.6 mmt -65.92 -30.28 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.481 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -84.3 -43.68 14.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' B' ' 54' ' ' TYR . 42.0 t -64.94 -49.77 78.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.736 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.515 ' O ' ' O ' ' B' ' 55' ' ' VAL . 76.9 mt -60.24 -55.71 30.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.163 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.5 t -51.71 -25.39 7.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.957 0.408 . . . . 0.0 110.691 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -95.57 -70.7 0.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.284 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.468 ' N ' ' O ' ' B' ' 50' ' ' VAL . 44.7 m-85 -62.18 -25.55 67.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.515 ' O ' ' O ' ' B' ' 51' ' ' LEU . 25.2 t -120.13 156.38 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.262 0.553 . . . . 0.0 110.762 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.427 ' N ' HG12 ' B' ' 55' ' ' VAL . 43.3 t-20 -101.76 91.04 4.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.661 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.59 130.15 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.291 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . 0.568 ' C ' ' H ' ' B' ' 60' ' ' ASP . 70.8 m -83.71 143.29 30.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.426 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.495 HD22 ' N ' ' B' ' 59' ' ' LEU . 4.4 mm? -51.34 -4.56 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.951 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . 0.568 ' H ' ' C ' ' B' ' 58' ' ' SER . 97.0 m-20 -88.75 -22.99 23.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.158 0.504 . . . . 0.0 110.708 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -96.83 11.27 36.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.9 0.381 . . . . 0.0 110.786 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' B' ' 63' ' ' ARG . 1.7 mp -92.82 159.62 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.121 0.486 . . . . 0.0 109.803 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.524 ' O ' HD12 ' B' ' 77' ' ' LEU . 66.8 ttt180 -131.84 109.72 10.31 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.66 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 25.7 mm -95.2 121.0 45.37 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.989 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.7 p -148.57 102.1 3.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.472 HE21 HD22 ' B' ' 40' ' ' LEU . 41.6 tt0 -100.19 150.39 22.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.969 0.414 . . . . 0.0 110.355 -179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -145.03 142.27 29.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.667 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -153.26 133.45 13.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.704 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -173.89 116.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.684 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' B' ' 72' ' ' MET . 16.2 t0 72.46 63.69 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 44.31 15.34 0.04 OUTLIER Glycine 0 C--O 1.239 0.441 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.533 ' N ' ' O ' ' B' ' 70' ' ' ASP . 4.6 tpp -108.25 109.67 21.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.001 0.429 . . . . 0.0 110.469 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -96.87 120.5 37.32 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.315 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 43.1 t -123.45 108.67 21.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.027 0.441 . . . . 0.0 110.392 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.661 HD12 HD23 ' B' ' 40' ' ' LEU . 1.4 tt -94.54 110.74 22.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.609 -179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.441 ' N ' HD23 ' B' ' 75' ' ' LEU . 82.2 tt0 -98.2 118.04 33.94 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.152 0.501 . . . . 0.0 110.128 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.524 HD12 ' O ' ' B' ' 63' ' ' ARG . 11.4 tp -135.15 130.68 35.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.65 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -131.79 130.68 42.14 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.225 0.535 . . . . 0.0 110.425 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.423 HD12 ' N ' ' B' ' 79' ' ' ILE . 2.9 mp -128.65 150.49 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.803 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 4.6 m -117.08 112.88 21.52 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.066 0.46 . . . . 0.0 109.769 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 mp -82.71 140.98 44.17 Favored Pre-proline 0 C--O 1.24 0.602 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.789 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' PRO . . . . . 0.4 ' HA ' ' HE ' ' B' ' 19' ' ' ARG . 60.2 Cg_endo . . . . . 0 C--N 1.311 -1.404 0 C-N-CA 122.777 2.318 . . . . 0.0 112.416 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.412 ' C ' ' SD ' ' A' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -71.76 134.2 46.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.684 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.528 HD12 ' N ' ' A' ' 3' ' ' LEU . 10.6 mp -64.83 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.793 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 71.6 mt -46.37 -27.65 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.522 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.579 ' O ' ' N ' ' A' ' 9' ' ' GLY . 96.9 mt-10 -75.2 -49.05 20.68 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 mp -64.97 -42.97 94.11 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.902 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 79.9 mt -61.33 -39.88 92.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.885 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.589 ' CE2' ' SD ' ' B' ' 72' ' ' MET . 93.8 m-85 -119.41 23.58 11.16 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.546 -179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.579 ' N ' ' O ' ' A' ' 5' ' ' GLU . . . -72.79 21.35 0.96 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.323 -0.711 . . . . 0.0 111.323 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.621 HH11 ' HG2' ' A' ' 10' ' ' ARG . 0.2 OUTLIER -100.66 74.77 1.69 Allowed 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.162 0.506 . . . . 0.0 110.604 -179.658 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' H ' ' HD3' ' A' ' 11' ' ' LYS . 7.5 mmtp 46.08 -170.54 0.01 OUTLIER 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.282 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -83.26 117.21 22.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.234 0.54 . . . . 0.0 110.209 179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.568 ' O ' ' O ' ' A' ' 14' ' ' THR . 80.5 tttt -66.73 -31.74 72.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.151 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.568 ' O ' ' O ' ' A' ' 13' ' ' LYS . 2.0 p 37.25 -170.79 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.179 0.514 . . . . 0.0 111.212 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.435 ' O ' ' O ' ' A' ' 14' ' ' THR . . . 60.64 132.2 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.767 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.6 p -84.48 123.88 30.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.237 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 t -72.58 -22.8 20.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.453 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.27 14.64 5.78 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.496 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.485 HH21 HG21 ' A' ' 80' ' ' THR . 14.5 mtp180 -147.18 177.63 9.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.278 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -121.35 150.17 41.86 Favored 'General case' 0 C--O 1.227 -0.091 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.779 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.463 ' CG ' HD21 ' A' ' 78' ' ' ASN . 43.7 ttm180 -137.4 156.2 48.47 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.85 123.8 22.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.782 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -121.57 95.62 4.75 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.712 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 80.3 mt -99.16 114.3 36.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.271 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -103.57 120.34 53.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.83 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 86.1 mt -107.22 127.45 62.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.315 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.55 93.3 3.81 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.94 0.4 . . . . 0.0 110.007 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.597 ' NE2' ' CD2' ' A' ' 40' ' ' LEU . 18.6 tt0 -92.41 124.2 36.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.573 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.4 tt0 -120.07 121.71 39.47 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -126.77 136.04 51.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.937 0.398 . . . . 0.0 110.59 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -85.54 154.94 21.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.969 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.437 ' OE1' HG21 ' B' ' 16' ' ' THR . 2.4 pt20 -37.46 -31.19 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.793 0.33 . . . . 0.0 111.023 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.433 ' N ' ' O ' ' A' ' 31' ' ' ALA . 47.6 tp10 -66.43 134.64 52.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.898 179.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 96.95 154.49 30.06 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.766 -0.933 . . . . 0.0 110.766 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -144.34 -167.31 2.59 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.9 0.381 . . . . 0.0 110.549 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.506 ' O ' ' O ' ' A' ' 37' ' ' PRO . 7.0 m 52.31 85.2 0.19 Allowed Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.83 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.506 ' O ' ' O ' ' A' ' 36' ' ' THR . 29.5 Cg_exo -53.25 -132.21 0.0 OUTLIER 'Trans proline' 0 N--CA 1.499 1.838 0 C-N-CA 122.52 2.147 . . . . 0.0 112.5 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.465 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 21.0 t0 84.92 64.58 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 178.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.425 ' HB2' HE22 ' A' ' 28' ' ' GLN . 94.8 m-85 -144.16 -36.69 0.33 Allowed 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 121.072 0.463 . . . . 0.0 110.256 179.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.597 ' CD2' ' NE2' ' A' ' 28' ' ' GLN . 4.0 mm? -65.02 -59.94 9.05 Favored Pre-proline 0 CA--C 1.539 0.55 0 CA-C-N 115.936 -0.575 . . . . 0.0 109.751 179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -66.15 -11.86 33.04 Favored 'Trans proline' 0 N--CA 1.5 1.898 0 C-N-CA 122.127 1.885 . . . . 0.0 112.059 179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.1 m -75.04 -53.57 8.67 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.85 0.357 . . . . 0.0 110.962 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.47 -42.11 92.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.767 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -59.34 -43.43 92.78 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.686 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.59 -49.99 75.32 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.518 -0.473 . . . . 0.0 111.464 -178.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.511 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -61.98 -33.5 74.43 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 121.001 0.429 . . . . 0.0 110.655 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.2 mt -73.22 -40.04 65.02 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.166 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.1 mmt -65.16 -37.58 87.84 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.841 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -81.6 -41.71 21.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.253 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 46' ' ' ALA . 45.1 t -64.49 -49.19 81.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 0.0 110.233 179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 55' ' ' VAL . 68.1 mt -61.54 -50.6 72.01 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.41 -179.466 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 78.0 p -52.86 -28.99 25.47 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.445 -0.502 . . . . 0.0 110.646 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -93.35 -66.08 0.95 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.372 -0.377 . . . . 0.0 111.47 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -61.84 -26.89 68.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.314 -179.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 51' ' ' LEU . 38.8 t -121.39 153.13 25.07 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.476 0 CA-C-O 120.934 0.397 . . . . 0.0 110.629 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -95.37 74.98 3.34 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.418 -179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.9 m -131.92 129.2 60.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.952 0.406 . . . . 0.0 110.343 179.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.538 ' C ' ' H ' ' A' ' 60' ' ' ASP . 47.9 t -83.49 142.85 30.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.552 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.484 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.3 mm? -52.51 -4.19 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 120.604 0.24 . . . . 0.0 110.575 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.538 ' H ' ' C ' ' A' ' 58' ' ' SER . 97.3 m-20 -84.71 -21.19 30.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.986 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -105.12 17.59 23.81 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.6 0.238 . . . . 0.0 110.802 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -95.04 113.75 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-O 120.856 0.36 . . . . 0.0 110.946 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -97.44 121.49 39.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.42 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.9 mt -118.66 138.56 48.96 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.361 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.462 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.5 t -153.08 97.26 2.17 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.24 179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -87.26 150.74 23.69 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.257 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -148.53 102.73 3.35 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.198 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -98.72 152.1 20.03 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.624 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 55.7 tt0 -163.71 108.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.425 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 51.94 -118.04 1.23 Allowed 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.658 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.25 18.12 54.61 Favored Glycine 0 N--CA 1.467 0.766 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.593 ' SD ' ' CE2' ' B' ' 8' ' ' PHE . 49.1 ttm -129.78 126.78 38.96 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.016 0.436 . . . . 0.0 110.541 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -124.85 144.97 50.02 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.887 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.4 t -137.59 117.35 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.53 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.504 HD12 HD12 ' A' ' 40' ' ' LEU . 0.8 OUTLIER -105.91 112.79 25.99 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.175 0.512 . . . . 0.0 109.985 -179.737 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -94.5 117.52 30.25 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.293 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.535 HD23 HD11 ' A' ' 79' ' ' ILE . 8.6 tp -123.55 126.05 45.97 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.932 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.463 HD21 ' CG ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -125.92 121.25 32.6 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.867 179.302 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.535 HD11 HD23 ' A' ' 77' ' ' LEU . 2.7 mp -117.71 138.89 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.485 HG21 HH21 ' A' ' 19' ' ' ARG . 2.9 m -106.26 112.26 25.2 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.6 mp -78.45 121.39 83.67 Favored Pre-proline 0 C--O 1.243 0.719 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.189 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -76.14 177.09 9.2 Favored 'Trans proline' 0 N--CA 1.485 1.024 0 C-N-CA 122.027 1.818 . . . . 0.0 112.232 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -124.6 130.5 52.55 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.196 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -175.07 40.61 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.434 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -63.12 -40.21 96.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.135 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 84.6 tttt 60.49 145.53 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.464 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 16.6 m -52.89 -176.15 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.297 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.5 mp -97.42 123.59 41.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.251 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 117.883 -1.056 . . . . 0.0 110.542 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.405 ' C ' ' SD ' ' B' ' 1' ' ' MET . 0.2 OUTLIER . . . . . 0 N--CA 1.489 1.483 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.3 t -71.35 134.37 46.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.682 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.528 ' N ' HD12 ' B' ' 3' ' ' LEU . 10.6 mp -64.89 -38.12 89.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.837 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 71.8 mt -46.68 -27.24 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.452 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.577 ' O ' ' N ' ' B' ' 9' ' ' GLY . 96.0 mt-10 -75.46 -49.52 18.6 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.916 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 9.0 mp -64.28 -43.03 96.07 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.862 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.33 -40.28 93.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.878 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . 0.593 ' CE2' ' SD ' ' A' ' 72' ' ' MET . 94.2 m-85 -119.25 25.15 10.32 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.631 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.577 ' N ' ' O ' ' B' ' 5' ' ' GLU . . . -76.21 19.47 2.93 Favored Glycine 0 CA--C 1.524 0.641 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.921 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.649 ' CG ' HH11 ' B' ' 10' ' ' ARG . 0.0 OUTLIER -101.23 72.98 1.47 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.236 0.541 . . . . 0.0 110.42 -179.514 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.484 ' N ' ' CD ' ' B' ' 11' ' ' LYS . 0.8 OUTLIER 52.68 -175.06 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.242 179.422 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.436 ' HA ' HE21 ' B' ' 12' ' ' GLN . 0.0 OUTLIER -80.52 122.29 26.83 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.164 -179.541 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.589 ' O ' ' O ' ' B' ' 14' ' ' THR . 79.2 tttt -89.28 44.7 1.23 Allowed 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.557 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.642 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 6.3 p -43.48 -178.54 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.162 0.506 . . . . 0.0 110.664 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 80.67 132.98 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.437 HG21 ' OE1' ' A' ' 32' ' ' GLN . 81.3 p -85.35 124.32 31.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.503 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 3.8 t -72.7 -22.89 20.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.405 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . 61.22 14.77 5.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.577 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.494 HH21 HG21 ' B' ' 80' ' ' THR . 14.6 mtp180 -147.35 177.77 8.95 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.228 -179.358 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -121.59 149.83 42.57 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.805 -0.634 . . . . 0.0 109.811 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.464 ' CG ' HD21 ' B' ' 78' ' ' ASN . 43.7 ttm180 -136.86 156.15 48.85 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.82 123.75 22.73 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.83 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -121.47 95.3 4.62 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.885 179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 79.6 mt -98.98 114.08 35.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.309 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 81.5 mt -103.38 120.36 53.24 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.928 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.5 mt -107.2 127.62 62.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.347 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.74 93.32 3.81 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.963 0.411 . . . . 0.0 110.033 179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.595 ' NE2' ' CD2' ' B' ' 40' ' ' LEU . 18.4 tt0 -92.57 123.67 36.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.536 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 49.9 tt0 -119.71 121.42 39.19 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -126.43 135.76 51.8 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.526 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' B' ' 33' ' ' GLU . . . -85.13 154.43 22.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.982 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -36.94 -30.98 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.839 0.352 . . . . 0.0 110.997 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' B' ' 31' ' ' ALA . 47.8 tp10 -66.63 134.23 51.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.826 179.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.96 155.12 29.64 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -145.65 -168.46 2.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.986 0.422 . . . . 0.0 110.382 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 9.5 m 55.52 82.68 0.24 Allowed Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.787 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.442 ' O ' ' HB2' ' B' ' 38' ' ' ASP . 33.6 Cg_endo -75.03 152.14 40.24 Favored 'Trans proline' 0 N--CA 1.487 1.088 0 C-N-CA 121.91 1.74 . . . . 0.0 110.704 179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' B' ' 37' ' ' PRO . 65.3 t0 167.54 59.11 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.4 ' HB2' HE22 ' B' ' 28' ' ' GLN . 97.8 m-85 -131.06 -33.21 1.55 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 120.707 0.289 . . . . 0.0 111.046 -179.076 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.595 ' CD2' ' NE2' ' B' ' 28' ' ' GLN . 3.9 mm? -63.61 -60.71 8.54 Favored Pre-proline 0 CA--C 1.542 0.665 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.092 179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -66.51 -11.8 33.16 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 122.326 2.017 . . . . 0.0 111.779 179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 93.6 m -74.95 -53.71 8.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.923 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.62 -42.12 91.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.63 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -59.42 -43.46 93.05 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.511 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -60.59 -49.84 75.93 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.415 -178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.528 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -62.13 -33.44 74.49 Favored 'General case' 0 CA--C 1.512 -0.519 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.658 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 83.1 mt -73.3 -39.97 64.89 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.133 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 17.2 mmt -65.25 -37.55 87.57 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.822 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -81.62 -41.61 21.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 46' ' ' ALA . 43.4 t -64.58 -49.16 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.437 ' O ' ' O ' ' B' ' 55' ' ' VAL . 69.9 mt -61.46 -50.7 71.73 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.454 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 79.7 p -52.76 -29.17 25.75 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.648 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -93.27 -66.07 0.95 Allowed 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 120.885 0.374 . . . . 0.0 111.443 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -61.87 -26.91 68.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.383 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.437 ' O ' ' O ' ' B' ' 51' ' ' LEU . 38.8 t -121.25 153.32 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-O 121.011 0.434 . . . . 0.0 110.581 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -95.56 74.92 3.25 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.489 -179.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 4.0 m -131.85 129.37 60.87 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.904 0.383 . . . . 0.0 110.364 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.561 ' C ' ' H ' ' B' ' 60' ' ' ASP . 46.8 t -83.5 142.73 30.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.529 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.479 HD22 ' N ' ' B' ' 59' ' ' LEU . 4.3 mm? -52.54 -3.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.708 0.29 . . . . 0.0 110.655 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . 0.561 ' H ' ' C ' ' B' ' 58' ' ' SER . 96.9 m-20 -84.94 -21.02 29.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.985 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -105.17 17.15 24.54 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.575 0.226 . . . . 0.0 110.755 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -94.77 113.81 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.475 0 CA-C-O 120.892 0.377 . . . . 0.0 110.917 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 ttm180 -97.51 121.56 39.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.432 178.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 96.8 mt -118.93 138.6 49.13 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.403 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.544 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.4 t -152.96 97.28 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.291 179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -87.25 150.61 23.78 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.293 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -148.28 102.72 3.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.183 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -98.92 150.7 21.66 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.642 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 55.0 tt0 -161.96 109.44 1.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.243 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 51.3 -117.54 1.13 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.674 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -101.46 17.99 54.33 Favored Glycine 0 N--CA 1.468 0.782 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.589 ' SD ' ' CE2' ' A' ' 8' ' ' PHE . 49.4 ttm -129.6 125.79 36.98 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.028 0.442 . . . . 0.0 110.585 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -123.85 144.88 49.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.968 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 84.3 t -137.63 117.26 15.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.384 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.527 HD12 HD12 ' B' ' 40' ' ' LEU . 0.9 OUTLIER -105.95 112.96 26.22 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 121.134 0.492 . . . . 0.0 109.776 -179.721 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -94.65 117.47 30.17 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.339 -0.846 . . . . 0.0 109.271 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.535 HD23 HD11 ' B' ' 79' ' ' ILE . 8.8 tp -123.42 126.22 46.39 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.929 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . 0.464 HD21 ' CG ' ' B' ' 21' ' ' ARG . 0.5 OUTLIER -126.09 121.42 32.86 Favored 'General case' 0 N--CA 1.461 0.117 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.882 179.3 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.535 HD11 HD23 ' B' ' 77' ' ' LEU . 2.7 mp -117.85 139.16 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 -179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . 0.494 HG21 HH21 ' B' ' 19' ' ' ARG . 2.9 m -106.53 112.08 24.93 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 179.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.34 121.2 83.49 Favored Pre-proline 0 C--O 1.243 0.737 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.083 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.15 176.75 9.64 Favored 'Trans proline' 0 N--CA 1.486 1.049 0 C-N-CA 122.074 1.849 . . . . 0.0 112.248 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -124.39 130.47 52.54 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.192 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -174.78 40.31 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.468 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -63.1 -40.27 97.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.127 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 84.4 tttt 60.56 146.26 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.469 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 17.4 m -53.44 -176.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 4.5 mp -96.83 123.67 40.6 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.293 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.957 -1.021 . . . . 0.0 110.586 -179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.7 t -152.74 144.66 23.68 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.949 0.404 . . . . 0.0 110.48 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mp -62.98 -36.1 82.37 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.796 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 56.1 mt -54.0 -31.37 21.07 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.358 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 9' ' ' GLY . 97.0 mt-10 -74.23 -46.38 42.1 Favored 'General case' 0 C--O 1.219 -0.529 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.5 mt -65.1 -42.65 93.81 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.915 0.388 . . . . 0.0 111.301 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.2 mt -62.3 -42.16 99.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.784 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.604 ' CE2' ' SD ' ' B' ' 72' ' ' MET . 96.5 m-85 -118.17 29.62 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.369 -179.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 5' ' ' GLU . . . -68.64 33.52 0.27 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.55 ' H ' ' C ' ' A' ' 8' ' ' PHE . 99.7 mtt180 -62.39 139.54 58.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.336 . . . . 0.0 110.337 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.0 tttp -48.98 -32.35 9.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.53 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -146.15 143.51 29.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.48 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -69.6 132.77 46.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.404 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 26.0 m -77.5 135.44 38.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.721 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -51.58 168.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.514 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.487 HG22 ' H ' ' A' ' 18' ' ' ALA . 11.2 m -65.92 131.13 45.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.661 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 17' ' ' VAL . 9.2 p -120.53 23.12 4.96 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.487 ' H ' HG22 ' A' ' 16' ' ' THR . . . 47.87 -160.91 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.085 179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.414 ' O ' ' O ' ' A' ' 18' ' ' ALA . 0.4 OUTLIER 43.65 -170.71 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.445 -179.696 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' B' ' 29' ' ' GLU . 12.0 t70 -146.41 164.91 30.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.35 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' N ' ' CG ' ' A' ' 20' ' ' ASP . 98.0 mtt180 -135.36 153.64 51.77 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.419 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.36 98.4 4.23 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.258 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -95.42 97.49 9.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.796 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.7 mt -101.76 109.48 26.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.22 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.44 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 19.4 mm -102.31 126.6 56.37 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 109.911 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.7 mt -116.87 134.61 59.88 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.346 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.351 -179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.11 109.47 9.51 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.145 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -101.93 126.0 48.74 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.536 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' B' ' 20' ' ' ASP . 81.6 tt0 -123.22 110.23 14.98 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.7 mtm-85 -105.35 138.76 41.03 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.746 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -68.94 116.51 9.49 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.33 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.473 ' O ' ' C ' ' A' ' 33' ' ' GLU . 24.2 pt20 -43.27 -16.98 0.01 OUTLIER 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.055 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 31' ' ' ALA . 12.2 tm-20 -26.47 -75.96 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.67 0.606 . . . . 0.0 111.149 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.513 ' N ' ' OE1' ' A' ' 33' ' ' GLU . . . -179.64 95.48 0.1 OUTLIER Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -173.41 159.89 3.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.869 0.366 . . . . 0.0 110.566 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.9 m -160.61 64.9 2.18 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.438 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -78.24 -173.68 1.94 Allowed 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.9 2.4 . . . . 0.0 111.895 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.6 p-10 -147.46 74.85 1.34 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.823 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -96.51 0.43 50.2 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.61 179.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.532 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 8.0 mt -68.88 -49.11 27.89 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.414 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 60.6 Cg_endo -75.26 -12.96 21.01 Favored 'Trans proline' 0 C--N 1.314 -1.245 0 C-N-CA 122.324 2.016 . . . . 0.0 111.798 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.4 m -76.71 -54.03 7.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.662 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.3 mt -66.26 -42.22 88.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.425 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -58.83 -43.5 90.69 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.789 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -62.39 -47.74 82.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.719 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.52 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -61.5 -36.34 80.21 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.021 0.439 . . . . 0.0 110.812 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.0 mt -71.91 -41.56 67.77 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.145 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.7 mmt -65.83 -33.5 75.98 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.769 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -83.61 -41.71 17.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.966 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.52 HG23 ' O ' ' A' ' 46' ' ' ALA . 47.7 t -65.15 -48.71 82.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.186 179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.486 ' O ' ' O ' ' A' ' 55' ' ' VAL . 70.2 mt -60.76 -55.86 28.12 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.078 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -50.85 -27.13 6.75 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.811 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -94.63 -69.92 0.73 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.474 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 50' ' ' VAL . 44.8 m-85 -61.38 -26.25 67.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.5 -179.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.486 ' O ' ' O ' ' A' ' 51' ' ' LEU . 25.9 t -118.77 152.66 21.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 121.202 0.525 . . . . 0.0 110.569 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -97.88 87.19 3.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.427 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.2 m -144.96 133.17 16.97 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.268 179.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.524 ' C ' ' H ' ' A' ' 60' ' ' ASP . 13.0 t -86.04 143.5 28.06 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.165 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 66.9 mt -52.63 -4.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.87 179.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.524 ' H ' ' C ' ' A' ' 58' ' ' SER . 98.3 m-20 -84.15 -23.04 30.81 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.713 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -103.08 13.63 33.71 Favored 'General case' 0 CA--C 1.518 -0.252 0 CA-C-O 120.777 0.322 . . . . 0.0 110.536 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -97.69 116.22 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.092 0.472 . . . . 0.0 110.226 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.557 ' O ' HD12 ' A' ' 77' ' ' LEU . 55.1 ttm-85 -93.93 117.47 30.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.277 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.3 mm -107.3 131.07 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.395 0 CA-C-O 121.15 0.5 . . . . 0.0 111.02 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.4 m -146.16 130.86 17.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.888 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -130.67 152.91 49.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.25 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -144.13 107.6 4.6 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.235 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -86.05 136.85 33.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.849 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.503 ' O ' ' O ' ' A' ' 72' ' ' MET . 10.5 tp-100 -154.28 151.36 29.03 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' A' ' 72' ' ' MET . 47.3 m-20 -30.63 130.76 0.1 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.723 -179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.461 ' C ' ' O ' ' A' ' 70' ' ' ASP . . . 22.71 38.59 0.01 OUTLIER Glycine 0 CA--C 1.532 1.121 0 O-C-N 123.898 0.749 . . . . 0.0 112.159 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.621 ' N ' ' O ' ' A' ' 70' ' ' ASP . 52.3 tpp -156.05 141.95 18.05 Favored 'General case' 0 C--O 1.226 -0.182 0 CA-C-O 121.576 0.703 . . . . 0.0 110.539 -178.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -147.17 141.8 26.62 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.234 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.91 117.36 37.63 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.407 ' C ' HD23 ' A' ' 75' ' ' LEU . 4.1 tt -107.01 104.58 14.28 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-O 121.054 0.454 . . . . 0.0 110.178 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -88.49 127.37 35.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.126 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 63' ' ' ARG . 61.3 tp -131.81 124.1 28.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.305 179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.423 HD22 ' C ' ' A' ' 77' ' ' LEU . 7.1 m120 -127.51 123.07 35.03 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.273 179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.5 mp -122.37 147.99 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-O 120.764 0.316 . . . . 0.0 110.276 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.7 m -116.84 110.87 18.92 Favored 'General case' 0 CA--C 1.516 -0.359 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.609 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.47 ' N ' HD12 ' A' ' 81' ' ' LEU . 11.0 mp -80.44 141.49 52.98 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.926 -179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -74.82 171.71 17.72 Favored 'Trans proline' 0 N--CA 1.488 1.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.114 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.563 ' O ' ' O ' ' A' ' 84' ' ' GLN . 62.6 tt0 -96.49 146.53 24.71 Favored 'General case' 0 CA--C 1.517 -0.299 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.563 ' O ' ' O ' ' A' ' 83' ' ' GLU . 72.5 mt-30 33.86 -164.09 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.64 0.587 . . . . 0.0 111.271 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -94.56 171.41 8.82 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -58.19 142.01 48.76 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.071 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 34.9 m -121.42 162.93 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.619 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 53.0 mt -88.79 127.38 35.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.185 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.455 -179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 35.8 t -150.5 144.87 25.63 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.647 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 4.4 mp -62.97 -35.89 81.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.851 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 55.8 mt -54.02 -31.01 20.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.172 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' B' ' 9' ' ' GLY . 99.2 mt-10 -74.85 -46.46 36.28 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.824 179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 60.8 mt -64.56 -42.88 95.39 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.943 0.401 . . . . 0.0 111.132 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 59.2 mt -62.64 -42.18 99.45 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.962 -178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . 0.552 ' C ' ' H ' ' B' ' 10' ' ' ARG . 96.0 m-85 -118.36 29.73 7.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.613 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' B' ' 5' ' ' GLU . . . -68.88 32.04 0.29 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.552 ' H ' ' C ' ' B' ' 8' ' ' PHE . 99.7 mtt180 -60.62 134.81 57.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 0.0 110.197 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -44.18 -33.78 1.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.5 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 53.2 tt0 -144.98 143.57 30.59 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.408 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -69.74 132.46 46.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.438 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 24.4 m -77.0 138.01 39.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.685 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.7 170.69 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.537 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.473 HG22 ' H ' ' B' ' 18' ' ' ALA . 9.6 m -67.56 130.17 42.19 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.777 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.503 HG22 ' O ' ' B' ' 17' ' ' VAL . 9.4 p -119.68 23.3 5.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-O 121.142 0.496 . . . . 0.0 110.807 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.473 ' H ' HG22 ' B' ' 16' ' ' THR . . . 47.34 -160.75 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.421 -0.512 . . . . 0.0 110.294 179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' B' ' 18' ' ' ALA . 0.4 OUTLIER 43.95 -170.29 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.489 -179.643 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 29' ' ' GLU . 15.0 t70 -146.5 164.7 31.71 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.441 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.436 ' N ' ' CG ' ' B' ' 20' ' ' ASP . 97.9 mtt180 -135.37 153.72 51.73 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.368 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.77 98.22 4.12 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.369 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -95.29 97.51 9.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.82 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 89.1 mt -101.72 109.72 26.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.43 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 21.6 mm -102.25 125.76 56.42 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.984 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 91.6 mt -115.81 133.54 61.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.364 -179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.38 110.17 10.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.225 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -102.71 126.43 49.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.694 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 82.1 tt0 -123.71 109.54 13.83 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 49.2 mtm-85 -105.1 139.22 40.09 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.535 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.513 ' O ' ' N ' ' B' ' 33' ' ' GLU . . . -69.49 117.41 11.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.521 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.475 ' O ' ' C ' ' B' ' 33' ' ' GLU . 26.1 pt20 -43.48 -17.01 0.02 OUTLIER 'General case' 0 CA--C 1.512 -0.485 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.109 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' B' ' 34' ' ' GLY . 11.8 tm-20 -26.63 -76.99 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.63 0.581 . . . . 0.0 111.136 -179.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.526 ' N ' ' OE1' ' B' ' 33' ' ' GLU . . . -178.79 95.31 0.1 OUTLIER Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -173.1 159.7 3.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.813 0.339 . . . . 0.0 110.525 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 9.3 m -160.34 64.76 2.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.528 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 65.5 Cg_endo -77.98 -173.8 1.97 Allowed 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.768 2.312 . . . . 0.0 111.94 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -147.8 74.6 1.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.811 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -96.13 -0.52 50.06 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.633 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 8.5 mt -67.5 -48.94 43.51 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.392 178.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 61.1 Cg_endo -75.31 -13.13 20.88 Favored 'Trans proline' 0 C--N 1.315 -1.235 0 C-N-CA 122.366 2.044 . . . . 0.0 111.725 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 93.8 m -76.37 -54.21 7.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.604 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.0 mt -66.25 -42.65 88.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.562 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -58.38 -43.57 88.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.706 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -62.49 -47.69 82.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.587 -179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.506 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -61.55 -36.3 80.19 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.044 0.45 . . . . 0.0 110.807 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 86.4 mt -71.95 -41.15 68.11 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.129 179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 24.5 mmt -66.28 -33.45 75.77 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.663 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -83.61 -42.15 17.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 46' ' ' ALA . 47.7 t -64.73 -48.5 84.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.184 179.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.487 ' O ' ' O ' ' B' ' 55' ' ' VAL . 69.6 mt -61.01 -56.14 24.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.055 -179.28 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.6 t -50.64 -27.07 6.19 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -94.68 -69.47 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.932 0.396 . . . . 0.0 111.56 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' B' ' 50' ' ' VAL . 44.8 m-85 -61.76 -26.1 67.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.507 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.487 ' O ' ' O ' ' B' ' 51' ' ' LEU . 30.6 t -119.28 151.78 21.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.23 0.538 . . . . 0.0 110.702 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -96.93 88.09 4.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.494 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 m -145.85 133.15 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.296 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.183 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.548 ' C ' ' H ' ' B' ' 60' ' ' ASP . 15.7 t -85.93 143.56 28.13 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.259 179.617 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 64.0 mt -52.66 -5.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.872 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . 0.548 ' H ' ' C ' ' B' ' 58' ' ' SER . 93.4 m-20 -83.96 -22.99 31.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.668 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -102.85 13.66 33.85 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-O 120.644 0.259 . . . . 0.0 110.479 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -98.37 116.41 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.3 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.524 ' O ' HD12 ' B' ' 77' ' ' LEU . 55.7 ttm-85 -93.91 118.3 31.28 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.268 178.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 mm -108.15 130.94 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -146.19 129.8 16.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.887 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -129.24 153.0 48.21 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.102 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -144.2 108.01 4.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.389 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -87.65 134.79 33.58 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.417 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.494 ' O ' ' O ' ' B' ' 70' ' ' ASP . 10.6 tp-100 -156.21 116.13 3.61 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.521 ' O ' ' N ' ' B' ' 72' ' ' MET . 78.6 m-20 27.54 -148.46 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 O-C-N 124.08 0.863 . . . . 0.0 110.633 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -66.85 42.22 0.2 Allowed Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.455 -1.058 . . . . 0.0 110.455 178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.604 ' SD ' ' CE2' ' A' ' 8' ' ' PHE . 37.0 ttm -148.89 151.01 33.93 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-O 121.001 0.429 . . . . 0.0 110.667 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -152.51 141.64 21.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.166 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 61.9 t -131.87 118.26 37.2 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.388 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.295 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.412 HD23 ' C ' ' B' ' 75' ' ' LEU . 4.2 tt -108.22 104.92 14.42 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.027 0.441 . . . . 0.0 110.247 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -88.29 128.81 35.49 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.202 179.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.524 HD12 ' O ' ' B' ' 63' ' ' ARG . 56.0 tp -132.62 122.38 24.62 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.402 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -125.86 123.93 39.75 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.298 179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.3 mp -123.41 147.59 27.69 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 120.776 0.322 . . . . 0.0 110.362 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 99.0 m -116.17 109.38 17.38 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.422 HD12 ' N ' ' B' ' 81' ' ' LEU . 11.1 mp -79.73 140.03 54.69 Favored Pre-proline 0 CA--C 1.538 0.496 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.12 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -74.97 165.72 30.75 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 122.726 2.284 . . . . 0.0 111.974 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.53 ' O ' ' O ' ' B' ' 84' ' ' GLN . 25.2 tt0 -74.8 -148.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.53 ' O ' ' O ' ' B' ' 83' ' ' GLU . 74.7 mt-30 -43.22 177.91 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.336 0.588 . . . . 0.0 110.768 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -65.97 167.24 10.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.686 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -55.24 145.0 22.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.326 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 28.4 m -122.82 162.18 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.591 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 54.9 mt -87.21 126.27 34.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.104 -179.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.006 -0.997 . . . . 0.0 110.439 -179.906 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptp . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.0 t -72.45 127.08 31.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.539 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 59.2 mt -65.56 -33.22 75.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.707 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 61.5 mt -46.22 -26.83 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.446 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -75.76 -49.89 16.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.029 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.76 -43.91 95.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.593 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.24 -45.08 94.5 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.49 -179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.508 ' CD2' ' SD ' ' B' ' 72' ' ' MET . 99.3 m-85 -122.1 -82.88 0.65 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.892 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.2 -144.31 17.15 Favored Glycine 0 N--CA 1.465 0.589 0 N-CA-C 110.678 -0.969 . . . . 0.0 110.678 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -84.27 -54.62 4.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.77 0.319 . . . . 0.0 110.714 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 87.7 mttt 46.1 -170.52 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.495 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -142.82 131.61 22.74 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.509 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -67.92 133.61 49.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.712 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.445 ' O ' ' O ' ' A' ' 15' ' ' ALA . 2.8 t -150.53 149.3 29.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.544 179.568 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.445 ' O ' ' O ' ' A' ' 14' ' ' THR . . . 52.28 170.84 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.271 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -122.46 83.78 2.16 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.315 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.538 ' O ' HG13 ' A' ' 17' ' ' VAL . 7.4 p -76.54 118.45 23.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.874 179.425 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.445 ' O ' ' OE1' ' A' ' 83' ' ' GLU . . . -88.94 72.65 8.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.618 -179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.441 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 4.0 mtp180 -168.38 178.3 4.94 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.372 0.606 . . . . 0.0 110.559 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 19' ' ' ARG . 4.3 m-20 -139.64 167.01 23.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.464 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.727 ' CG ' HD21 ' A' ' 78' ' ' ASN . 60.0 ttp180 -137.33 156.01 48.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.598 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.27 107.57 6.11 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.571 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -101.43 101.29 11.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.323 179.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 73.0 mt -97.64 114.87 36.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.194 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 90.4 mt -111.6 124.12 68.07 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.161 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 89.5 mt -117.14 127.5 74.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.238 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.7 103.41 8.86 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.115 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.438 HE22 HH21 ' A' ' 30' ' ' ARG . 55.7 tt0 -102.48 126.93 49.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.221 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.485 ' OE2' ' NE ' ' B' ' 21' ' ' ARG . 7.4 pt-20 -121.98 115.72 23.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.271 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.617 ' NH2' ' H ' ' A' ' 39' ' ' TYR . 93.0 mtt180 -108.83 117.69 34.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.31 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.528 ' O ' ' C ' ' A' ' 32' ' ' GLN . . . -78.54 148.92 33.2 Favored 'General case' 0 CA--C 1.516 -0.335 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.528 ' C ' ' O ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -18.72 -74.16 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.989 0.806 . . . . 0.0 110.987 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -83.33 58.21 4.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.263 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -94.91 -81.02 1.53 Allowed Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.494 ' NE2' ' OH ' ' A' ' 39' ' ' TYR . 2.9 mt-30 -168.25 156.87 8.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.95 0.405 . . . . 0.0 110.217 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.578 ' N ' ' CD ' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -92.7 -44.45 0.34 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.1 179.569 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 36' ' ' THR . 41.4 Cg_exo -55.57 134.62 65.01 Favored 'Trans proline' 0 C--N 1.307 -1.649 0 C-N-CA 122.236 1.957 . . . . 0.0 111.68 -179.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.412 ' OD1' ' N ' ' A' ' 38' ' ' ASP . 36.8 p-10 -92.76 124.3 36.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.402 179.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.617 ' H ' ' NH2' ' A' ' 30' ' ' ARG . 47.1 m-85 -103.38 2.28 33.75 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.534 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.564 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -61.06 -46.52 96.41 Favored Pre-proline 0 C--N 1.328 -0.334 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 7.7 Cg_exo -72.06 -14.96 29.19 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.933 2.422 . . . . 0.0 111.674 -179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 95.6 m -78.22 -55.22 5.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.158 -179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.2 mt -64.32 -43.86 93.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.742 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -60.17 -43.23 96.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.801 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -62.75 -49.02 76.67 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 120.427 -0.509 . . . . 0.0 110.988 -179.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.666 ' O ' HG22 ' A' ' 50' ' ' VAL . . . -58.15 -31.42 67.2 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.793 -179.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 82.0 mt -75.49 -40.59 57.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.854 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.7 mmt -68.86 -39.15 80.03 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.499 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -61.92 -53.66 52.6 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.245 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.766 HG23 ' H ' ' A' ' 51' ' ' LEU . 16.4 m -62.49 -62.13 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.453 179.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.766 ' H ' HG23 ' A' ' 50' ' ' VAL . 71.4 mt -43.9 -24.3 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.705 0.288 . . . . 0.0 111.049 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.0 t -76.12 -44.05 40.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.268 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -105.7 -47.36 3.92 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.923 0.392 . . . . 0.0 111.135 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 50' ' ' VAL . 3.3 m-85 -57.37 -43.73 83.8 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.775 -178.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.547 HG12 ' N ' ' A' ' 56' ' ' ASN . 47.3 t -111.42 161.71 9.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.899 0.38 . . . . 0.0 110.282 -179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.547 ' N ' HG12 ' A' ' 55' ' ' VAL . 74.0 m-20 -94.56 70.67 3.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.724 -179.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 m -137.22 129.68 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.251 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.549 ' C ' ' H ' ' A' ' 60' ' ' ASP . 47.9 t -83.67 146.21 28.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.176 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.2 mm? -54.59 -2.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.765 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.549 ' H ' ' C ' ' A' ' 58' ' ' SER . 96.5 m-20 -86.01 -20.75 28.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.619 179.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -104.76 15.88 27.05 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.633 0.254 . . . . 0.0 110.714 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -92.88 117.82 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 110.52 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.514 ' O ' HD12 ' A' ' 77' ' ' LEU . 60.7 ttm-85 -93.46 98.03 10.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.785 178.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.9 tp -97.94 132.63 42.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.004 -179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.3 t -153.67 95.34 1.88 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.127 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.469 ' CD ' ' N ' ' A' ' 67' ' ' GLU . 23.4 tm0? -87.03 151.6 23.11 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.493 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.469 ' N ' ' CD ' ' A' ' 66' ' ' GLN . 80.0 mt-10 -155.65 131.27 9.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.591 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -142.55 151.44 41.59 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -168.63 138.69 2.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.601 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' A' ' 71' ' ' GLY . 63.6 t0 56.91 -123.26 1.72 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.319 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.457 ' H ' ' CG ' ' A' ' 70' ' ' ASP . . . -110.82 5.08 29.15 Favored Glycine 0 N--CA 1.465 0.608 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.5 ' SD ' ' CD2' ' B' ' 8' ' ' PHE . 37.5 ttm -112.33 123.86 51.2 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.886 0.374 . . . . 0.0 110.396 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -115.61 143.93 44.63 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.285 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 m -138.15 159.52 32.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 121.018 0.437 . . . . 0.0 110.149 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.87 131.22 28.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.598 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -113.34 115.5 28.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.987 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.514 HD12 ' O ' ' A' ' 63' ' ' ARG . 42.7 tp -132.71 122.42 24.56 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.426 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.727 HD21 ' CG ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -126.02 123.1 37.69 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.879 179.222 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.649 ' N ' HD22 ' A' ' 78' ' ' ASN . 2.0 mp -118.15 141.51 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.902 0.382 . . . . 0.0 110.09 -179.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.5 m -110.62 109.1 19.26 Favored 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.962 179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.574 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.2 mp -77.46 133.45 67.49 Favored Pre-proline 0 C--O 1.237 0.424 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.585 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -74.95 -172.26 1.2 Allowed 'Trans proline' 0 N--CA 1.492 1.384 0 C-N-CA 122.531 2.154 . . . . 0.0 112.186 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.445 ' OE1' ' O ' ' A' ' 18' ' ' ALA . 50.3 tp10 -86.15 -74.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.161 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -161.25 -57.82 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.65 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.3 pttt -80.72 144.75 31.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.391 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.94 19.3 20.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.658 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t 58.15 103.68 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.544 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 88' ' ' LEU . 9.9 mp -78.58 140.4 38.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.35 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.578 179.841 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 16.2 ptp . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 47.6 t -69.92 126.96 31.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.509 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 58.3 mt -65.72 -32.7 74.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.731 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 61.6 mt -46.36 -26.65 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.532 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -76.25 -49.81 16.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 77.6 mt -63.65 -43.88 95.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.474 -179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 88.0 mt -60.49 -44.87 95.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.493 -178.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . 0.5 ' CD2' ' SD ' ' A' ' 72' ' ' MET . 99.8 m-85 -122.23 -83.11 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 120.38 -145.13 17.46 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 89.7 mtm180 -83.51 -54.64 4.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.784 0.326 . . . . 0.0 110.624 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 88.2 mttt 46.22 -170.3 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.604 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -141.83 130.76 23.08 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.534 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 12.7 ptmt -68.84 131.45 45.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.559 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.465 ' O ' ' O ' ' B' ' 15' ' ' ALA . 2.9 t -149.2 152.39 35.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.578 -179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.465 ' O ' ' O ' ' B' ' 14' ' ' THR . . . 50.94 171.65 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.481 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.6 83.1 2.09 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 120.942 0.401 . . . . 0.0 110.186 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.542 HG13 ' O ' ' B' ' 17' ' ' VAL . 7.9 p -76.07 118.53 22.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.98 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.441 ' O ' ' OE1' ' B' ' 83' ' ' GLU . . . -88.96 73.22 8.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.469 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.44 ' O ' ' OD1' ' B' ' 20' ' ' ASP . 4.1 mtp180 -169.33 177.95 4.5 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.379 0.609 . . . . 0.0 110.605 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' B' ' 19' ' ' ARG . 4.1 m-20 -139.94 165.82 26.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.286 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.728 ' CG ' HD21 ' B' ' 78' ' ' ASN . 60.0 ttp180 -135.52 156.95 48.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.617 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.98 108.77 6.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.513 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -102.9 101.68 11.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.383 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 72.4 mt -97.93 115.13 37.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.241 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 91.5 mt -111.67 123.99 68.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.074 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.4 mt -117.36 127.32 74.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.195 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.46 103.46 8.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.158 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.505 HE22 HH21 ' B' ' 30' ' ' ARG . 57.3 tt0 -102.73 125.58 49.52 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.2 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.503 ' OE2' ' NE ' ' A' ' 21' ' ' ARG . 7.5 pt-20 -120.42 116.49 25.58 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.285 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.592 ' NH2' ' H ' ' B' ' 39' ' ' TYR . 94.6 mtt180 -109.63 117.49 34.06 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.323 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' B' ' 34' ' ' GLY . . . -78.01 148.4 34.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.775 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.513 ' C ' ' O ' ' B' ' 31' ' ' ALA . 0.4 OUTLIER -18.54 -73.6 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.1 0.875 . . . . 0.0 110.876 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -84.22 58.82 4.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.275 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' B' ' 31' ' ' ALA . . . -95.74 -79.68 1.47 Allowed Glycine 0 N--CA 1.465 0.593 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.508 ' NE2' ' OH ' ' B' ' 39' ' ' TYR . 2.9 mt-30 -169.05 156.56 7.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.018 0.437 . . . . 0.0 110.274 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . 0.59 ' N ' ' CD ' ' B' ' 37' ' ' PRO . 0.1 OUTLIER -92.05 -44.92 0.35 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.172 179.595 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' B' ' 36' ' ' THR . 38.4 Cg_exo -55.28 134.77 65.74 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 122.189 1.926 . . . . 0.0 111.974 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -92.59 125.42 37.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.333 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.592 ' H ' ' NH2' ' B' ' 30' ' ' ARG . 46.0 m-85 -104.35 2.46 31.36 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.704 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.564 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 0.6 OUTLIER -61.1 -46.59 96.19 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 7.5 Cg_exo -71.77 -15.05 30.09 Favored 'Trans proline' 0 C--N 1.307 -1.643 0 C-N-CA 122.933 2.422 . . . . 0.0 111.786 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 92.9 m -78.52 -55.82 4.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.146 -179.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.9 mt -63.78 -44.08 94.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.605 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -60.0 -43.32 95.29 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.734 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -62.43 -49.62 74.75 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.991 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.678 ' O ' HG22 ' B' ' 50' ' ' VAL . . . -57.58 -31.44 66.17 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.695 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 82.2 mt -75.49 -40.43 57.22 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.967 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 22.5 mmt -68.96 -39.24 79.62 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.505 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -61.97 -53.54 54.28 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.232 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.768 HG23 ' H ' ' B' ' 51' ' ' LEU . 16.4 m -62.63 -62.41 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.539 179.471 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.768 ' H ' HG23 ' B' ' 50' ' ' VAL . 71.3 mt -43.67 -24.73 0.13 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.73 0.3 . . . . 0.0 111.064 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 14.1 t -75.59 -44.04 45.13 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.369 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 pttt -105.86 -47.59 3.84 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-O 120.977 0.418 . . . . 0.0 111.165 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.511 ' N ' ' O ' ' B' ' 50' ' ' VAL . 3.2 m-85 -57.03 -43.67 82.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.782 -178.293 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.538 HG12 ' N ' ' B' ' 56' ' ' ASN . 45.4 t -111.62 161.54 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.007 0.432 . . . . 0.0 110.29 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.538 ' N ' HG12 ' B' ' 55' ' ' VAL . 73.6 m-20 -94.37 70.31 3.7 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.824 -179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -136.72 129.76 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.175 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.546 ' C ' ' H ' ' B' ' 60' ' ' ASP . 46.7 t -83.62 146.24 28.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.069 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.509 HD22 ' N ' ' B' ' 59' ' ' LEU . 4.3 mm? -54.54 -3.04 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 O-C-N 123.41 0.444 . . . . 0.0 110.649 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . 0.546 ' H ' ' C ' ' B' ' 58' ' ' SER . 96.2 m-20 -85.55 -20.6 29.35 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.652 179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -104.81 15.99 26.83 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 120.742 0.306 . . . . 0.0 110.749 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -93.03 117.69 37.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.467 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.506 ' O ' HD12 ' B' ' 77' ' ' LEU . 60.2 ttm-85 -93.21 97.13 10.44 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.913 178.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 5.5 tp -97.0 132.18 42.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.103 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.4 t -153.72 95.24 1.86 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.706 -0.398 . . . . 0.0 109.969 179.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.449 ' CD ' ' N ' ' B' ' 67' ' ' GLU . 24.6 tm0? -87.16 151.87 22.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.638 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.449 ' N ' ' CD ' ' B' ' 66' ' ' GLN . 79.4 mt-10 -155.68 131.11 9.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.617 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -142.39 151.06 41.47 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.864 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -168.45 139.01 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.584 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.433 ' CG ' ' H ' ' B' ' 71' ' ' GLY . 57.9 t0 56.54 -123.57 1.8 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.397 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.433 ' H ' ' CG ' ' B' ' 70' ' ' ASP . . . -110.67 6.07 29.6 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.508 ' SD ' ' CD2' ' A' ' 8' ' ' PHE . 39.7 ttm -113.43 124.19 51.85 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.935 0.398 . . . . 0.0 110.313 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -115.99 143.41 45.49 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.277 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.1 m -137.73 159.26 34.23 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-O 121.07 0.462 . . . . 0.0 110.02 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -138.15 131.53 30.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.502 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -113.63 113.95 25.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.126 179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.506 HD12 ' O ' ' B' ' 63' ' ' ARG . 42.7 tp -131.34 122.89 27.15 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.537 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . 0.728 HD21 ' CG ' ' B' ' 21' ' ' ARG . 0.2 OUTLIER -126.36 122.89 36.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.254 -0.43 . . . . 0.0 109.944 179.251 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.64 ' N ' HD22 ' B' ' 78' ' ' ASN . 1.9 mp -117.77 141.83 34.88 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 120.781 0.324 . . . . 0.0 110.387 -179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 88.6 m -110.67 109.62 19.97 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.563 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.4 mp -78.08 133.09 65.51 Favored Pre-proline 0 C--O 1.237 0.439 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.667 -179.26 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -75.17 -174.52 1.99 Allowed 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 122.65 2.234 . . . . 0.0 112.216 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 18' ' ' ALA . 49.4 tp10 -83.85 -75.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.233 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -160.97 -57.14 0.05 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.699 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 64.2 pttt -81.19 143.74 32.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.451 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.68 17.57 23.8 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.738 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t 59.45 103.81 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.487 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.582 ' N ' HD12 ' B' ' 88' ' ' LEU . 9.8 mp -77.91 141.35 39.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.418 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 . . . . . 0 C--O 1.219 -0.535 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.557 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.2 ttp . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 p -145.38 127.47 15.63 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.0 mt -64.69 -36.5 84.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.754 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 59.1 mt -43.5 -27.02 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.541 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -70.43 -57.14 5.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.935 0.398 . . . . 0.0 110.654 179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 6' ' ' LEU . 10.3 mp -64.27 -42.71 96.31 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.693 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.07 -45.78 91.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.55 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -119.86 -73.44 0.65 Allowed 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.448 179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.38 -108.45 3.21 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.612 -0.995 . . . . 0.0 110.612 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -139.89 133.36 30.13 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.93 0.395 . . . . 0.0 110.428 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -157.35 100.04 1.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.483 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.5 ' OE1' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -80.18 -15.43 57.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.345 179.784 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.5 ' N ' ' OE1' ' A' ' 12' ' ' GLN . 38.2 tptt -74.2 133.45 42.72 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.572 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 43.0 m 42.6 75.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.656 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -101.32 -54.72 2.71 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.543 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.4 p -83.47 53.2 2.43 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.41 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.538 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 11.4 p -60.52 -27.76 40.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.567 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.538 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . 72.81 51.3 0.15 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.456 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -161.97 176.54 10.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.308 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -117.79 148.1 42.38 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.995 179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -134.85 151.37 50.86 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.104 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 16.7 tp -141.81 116.63 9.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.464 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -116.16 102.82 9.94 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.684 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 90.3 mt -98.44 113.1 32.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 71.5 mt -103.8 119.99 53.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.774 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 81.6 mt -108.3 127.43 64.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.027 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.66 123.19 41.31 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.025 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -121.68 125.27 46.24 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.893 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.3 tp10 -123.13 112.4 17.68 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -103.04 128.99 49.67 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.171 179.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' A' ' 34' ' ' GLY . . . -72.83 130.69 41.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.39 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.64 ' CD ' ' H ' ' A' ' 32' ' ' GLN . 1.2 pm0 -37.19 -36.33 0.13 Allowed 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.508 -179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.8 -43.07 76.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.269 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' ALA . . . -82.24 149.57 27.88 Favored Glycine 0 CA--C 1.52 0.354 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.47 ' O ' ' OE2' ' B' ' 83' ' ' GLU . 7.3 pt20 -150.23 138.59 20.47 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.06 150.9 17.08 Favored Pre-proline 0 C--N 1.327 -0.392 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.65 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 53.7 Cg_exo -38.49 -72.2 0.05 OUTLIER 'Trans proline' 0 C--N 1.314 -1.265 0 C-N-CA 122.577 2.185 . . . . 0.0 112.855 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.402 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 1.2 p30 165.47 164.84 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.206 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -137.24 8.48 2.93 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.544 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.622 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 13.3 mt -72.71 -39.38 5.66 Favored Pre-proline 0 C--O 1.235 0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.28 178.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.622 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 57.5 Cg_endo -82.77 -19.41 6.06 Favored 'Trans proline' 0 N--CA 1.488 1.172 0 C-N-CA 122.333 2.022 . . . . 0.0 111.895 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.9 m -75.64 -51.26 13.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.065 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.1 mt -68.58 -44.3 74.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.423 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.711 ' CG ' HH11 ' A' ' 44' ' ' ARG . 0.0 OUTLIER -57.15 -41.84 79.9 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.947 -179.782 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -61.39 -51.59 68.14 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.045 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.453 ' O ' HG12 ' A' ' 50' ' ' VAL . . . -63.98 -29.89 71.01 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-O 120.895 0.379 . . . . 0.0 111.009 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.58 -36.91 76.71 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.9 179.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.472 ' HG3' ' NH1' ' A' ' 44' ' ' ARG . 17.7 mmt -76.64 -29.68 56.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.463 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -81.17 -42.55 20.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.361 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.574 HG13 ' N ' ' A' ' 51' ' ' LEU . 14.5 p -64.72 -46.7 91.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.624 -0.431 . . . . 0.0 110.555 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.574 ' N ' HG13 ' A' ' 50' ' ' VAL . 3.7 mp -60.55 -56.02 26.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.041 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.3 t -50.99 -28.21 9.41 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.448 -0.501 . . . . 0.0 110.706 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -95.47 -73.12 0.6 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.909 0.385 . . . . 0.0 111.731 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.462 ' N ' ' O ' ' A' ' 50' ' ' VAL . 32.7 m-85 -57.1 -27.1 61.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 -178.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.484 ' O ' ' O ' ' A' ' 51' ' ' LEU . 20.6 t -120.15 159.69 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.021 0.439 . . . . 0.0 110.429 -179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.446 ' N ' HG12 ' A' ' 55' ' ' VAL . 63.2 t30 -99.41 76.35 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.345 -179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 m -138.8 132.84 40.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.17 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 60' ' ' ASP . 1.3 t -91.84 142.8 27.17 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.708 -0.479 . . . . 0.0 109.708 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.503 ' N ' HD12 ' A' ' 59' ' ' LEU . 10.9 mp -46.74 -14.8 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.352 0.408 . . . . 0.0 110.323 -179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 61' ' ' ASN . 55.3 p-10 -74.35 -27.42 60.67 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.585 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.54 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 94.2 m-20 -94.46 16.63 14.78 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 -178.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.528 HD12 ' N ' ' A' ' 62' ' ' ILE . 1.5 mp -95.25 160.84 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.466 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 73.5 ttt180 -138.81 97.29 3.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.002 178.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 26.9 mm -83.81 126.07 40.17 Favored 'Isoleucine or valine' 0 C--O 1.231 0.098 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.501 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -142.92 94.59 2.65 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.169 -0.468 . . . . 0.0 109.84 179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -91.81 145.09 24.85 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.428 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -149.92 102.76 3.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.088 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -107.21 156.4 18.88 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.091 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -165.39 118.8 1.2 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.459 179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 48.79 -132.78 1.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.495 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -83.8 -4.56 88.72 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.501 ' SD ' ' N ' ' A' ' 73' ' ' ASP . 2.5 tpt -101.72 126.05 48.5 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.992 0.425 . . . . 0.0 110.114 179.716 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.501 ' N ' ' SD ' ' A' ' 72' ' ' MET . 96.7 m-20 -128.93 143.75 50.98 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.349 179.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -147.14 127.21 4.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.503 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.8 tt -108.45 115.62 30.44 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.102 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -93.41 120.28 33.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.213 179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 tp -125.09 124.16 41.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.466 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 34.6 m-80 -123.74 128.37 49.49 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.389 179.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.5 mp -128.85 147.39 33.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.083 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.947 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 31.1 m -115.55 110.8 19.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.8 mp -77.97 145.57 70.08 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.462 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.413 ' HG2' ' H ' ' A' ' 83' ' ' GLU . 56.7 Cg_endo -69.3 -77.9 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 122.673 2.248 . . . . 0.0 112.475 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.465 ' OE2' ' O ' ' B' ' 35' ' ' GLN . 36.6 tp10 62.8 129.45 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.519 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 56.64 103.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.426 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -61.2 135.25 57.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.469 -179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.27 -45.6 90.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.723 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 11.3 p -79.22 137.39 21.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.263 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 48.5 tp 54.09 97.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.443 -179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.387 179.597 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 51.4 ttp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 32.3 p -146.28 127.16 14.47 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.62 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.54 -36.43 84.19 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.653 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 60.1 mt -43.46 -27.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.527 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -70.38 -56.69 6.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.614 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.547 ' N ' HD12 ' B' ' 6' ' ' LEU . 10.4 mp -64.81 -42.7 94.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.682 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 93.6 mt -59.95 -45.97 90.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.533 -178.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -119.83 -73.67 0.64 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.454 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.43 -109.35 3.31 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -138.78 133.64 32.39 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.836 0.35 . . . . 0.0 110.498 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -157.83 100.26 1.74 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.396 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.496 ' OE1' ' N ' ' B' ' 13' ' ' LYS . 0.0 OUTLIER -80.74 -13.93 58.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.339 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.496 ' N ' ' OE1' ' B' ' 12' ' ' GLN . 37.8 tptt -75.89 133.28 40.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.531 -179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 42.5 m 43.01 74.57 0.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.571 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.55 -55.3 2.63 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.439 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 23.9 p -82.97 53.54 2.46 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.517 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.541 ' O ' ' HB3' ' B' ' 18' ' ' ALA . 11.5 p -60.63 -27.87 41.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.584 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' B' ' 17' ' ' VAL . . . 72.92 50.72 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.5 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 6.0 tpp180 -161.34 177.07 10.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.325 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -118.35 148.32 42.61 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.931 179.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -135.0 152.08 51.4 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.084 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 16.4 tp -142.77 116.18 9.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.462 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -115.64 103.21 10.47 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.677 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 89.8 mt -98.67 113.04 32.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.372 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 71.2 mt -103.85 119.35 52.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.788 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 80.6 mt -107.81 127.15 64.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.097 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.32 124.09 43.75 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.934 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -122.6 124.88 44.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.887 179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 42.8 tp10 -122.59 112.9 18.55 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 109.844 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -103.41 128.49 50.52 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.263 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.535 ' O ' ' N ' ' B' ' 34' ' ' GLY . . . -72.57 130.47 40.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.41 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.627 ' CD ' ' H ' ' B' ' 32' ' ' GLN . 1.2 pm0 -36.91 -36.63 0.12 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.842 0.354 . . . . 0.0 110.632 -179.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.49 -43.28 77.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.252 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.535 ' N ' ' O ' ' B' ' 31' ' ' ALA . . . -82.27 149.37 27.61 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.465 ' O ' ' OE2' ' A' ' 83' ' ' GLU . 7.8 pt20 -150.26 138.68 20.52 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.59 150.35 15.79 Favored Pre-proline 0 C--N 1.326 -0.44 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.617 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -37.72 -72.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.316 -1.167 0 C-N-CA 122.705 2.27 . . . . 0.0 112.81 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 1.1 p30 165.91 164.37 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 64.8 m-85 -136.85 8.67 3.03 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.547 179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.608 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 13.2 mt -72.85 -39.41 5.46 Favored Pre-proline 0 C--O 1.236 0.385 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.386 178.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 59.0 Cg_endo -82.52 -19.05 6.58 Favored 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.309 2.006 . . . . 0.0 111.97 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.9 m -75.83 -51.56 12.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.103 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 70.5 mt -68.78 -45.29 71.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.604 -179.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.595 HH11 ' HG2' ' B' ' 44' ' ' ARG . 39.7 ttt-85 -56.33 -42.12 77.16 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.39 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -60.68 -51.76 68.0 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.111 -0.636 . . . . 0.0 111.096 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.556 ' O ' HG12 ' B' ' 50' ' ' VAL . . . -63.85 -29.44 70.63 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 121.076 0.465 . . . . 0.0 110.769 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 61.5 mt -70.08 -36.54 75.0 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.122 178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 18.7 mmt -76.95 -29.7 55.71 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.276 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -81.54 -42.44 20.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.637 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.556 HG12 ' O ' ' B' ' 46' ' ' ALA . 13.5 p -64.97 -46.56 91.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.569 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.529 ' N ' HG13 ' B' ' 50' ' ' VAL . 3.9 mp -60.59 -56.01 26.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.062 -179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 5.0 t -50.76 -28.0 8.33 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.294 -0.562 . . . . 0.0 110.709 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 55.7 mtmt -95.56 -73.37 0.59 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.866 0.365 . . . . 0.0 111.681 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' B' ' 50' ' ' VAL . 32.9 m-85 -56.66 -27.18 58.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.017 -178.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.495 ' O ' ' O ' ' B' ' 51' ' ' LEU . 20.5 t -120.16 159.41 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.116 0.484 . . . . 0.0 110.407 -179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.444 ' N ' HG12 ' B' ' 55' ' ' VAL . 63.9 t30 -99.26 75.41 2.0 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.456 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 6.1 m -137.7 132.29 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.261 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.481 ' C ' ' N ' ' B' ' 60' ' ' ASP . 1.3 t -91.58 143.15 26.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.727 179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.514 HD12 ' N ' ' B' ' 59' ' ' LEU . 10.9 mp -47.0 -14.64 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 O-C-N 123.412 0.445 . . . . 0.0 110.344 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' B' ' 61' ' ' ASN . 55.6 p-10 -74.46 -26.96 60.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.496 -179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' B' ' 60' ' ' ASP . 92.9 m-20 -94.99 16.68 15.58 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.535 ' N ' HD12 ' B' ' 62' ' ' ILE . 1.5 mp -95.38 161.03 2.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.464 ' N ' ' CG2' ' B' ' 62' ' ' ILE . 73.4 ttt180 -139.05 97.41 3.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.076 178.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.506 HG13 HH21 ' B' ' 44' ' ' ARG . 25.1 mm -83.64 126.22 40.15 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.463 -179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 16.1 t -143.11 94.46 2.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.782 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -91.74 145.11 24.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.404 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -150.18 102.44 3.09 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.003 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -106.55 157.12 17.91 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.026 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -165.93 119.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.443 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 48.31 -131.33 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.452 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -85.73 -3.85 85.66 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.518 ' SD ' ' N ' ' B' ' 73' ' ' ASP . 2.1 tpt -102.25 125.77 49.05 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.99 0.424 . . . . 0.0 110.052 179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . 0.518 ' N ' ' SD ' ' B' ' 72' ' ' MET . 96.7 m-20 -128.38 143.8 51.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.324 179.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 1.8 p -146.98 127.22 5.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.531 179.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 6.4 tt -108.14 115.81 30.82 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.009 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -93.6 119.77 33.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.218 179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 40.4 tp -125.06 124.48 42.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.442 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 -124.08 128.31 49.12 Favored 'General case' 0 C--O 1.24 0.574 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.402 179.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.6 mp -128.85 147.29 33.28 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.894 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 29.1 m -115.16 111.49 21.08 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 178.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 mp -78.56 145.7 67.97 Favored Pre-proline 0 C--O 1.236 0.374 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.452 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . 0.411 ' HG2' ' H ' ' B' ' 83' ' ' GLU . 56.4 Cg_endo -69.31 -78.17 0.01 OUTLIER 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.713 2.275 . . . . 0.0 112.437 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.47 ' OE2' ' O ' ' A' ' 35' ' ' GLN . 36.8 tp10 63.04 129.19 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.487 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 56.73 103.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.406 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -61.46 135.45 57.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.334 -179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -63.46 -45.25 91.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.758 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 11.5 p -79.59 136.4 23.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.29 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 48.2 tp 55.17 96.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.414 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.413 179.555 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.492 ' SD ' ' O ' ' A' ' 1' ' ' MET . 2.1 tmt? . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m -69.33 138.42 53.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.408 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.5 mt -65.53 -31.1 71.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.521 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 68.0 mt -44.5 -30.69 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.556 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 9' ' ' GLY . 80.8 mm-40 -71.78 -51.64 21.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.659 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.4 mt -63.73 -44.13 94.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.547 -179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.15 -43.87 95.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.28 -178.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.448 ' CD2' ' HE1' ' B' ' 72' ' ' MET . 86.8 m-85 -113.87 -70.78 0.78 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 110.659 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 5' ' ' GLU . . . 71.03 -157.38 53.53 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -98.83 136.85 38.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.861 0.362 . . . . 0.0 110.605 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -173.52 -167.91 0.41 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.634 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -65.14 141.18 58.78 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.428 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -121.91 138.26 54.47 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.58 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.531 ' C ' ' H ' ' A' ' 16' ' ' THR . 6.4 p -78.23 175.77 9.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.503 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.51 37.94 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.579 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.531 ' H ' ' C ' ' A' ' 14' ' ' THR . 35.9 m 44.08 84.23 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.591 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.1 m -62.95 -157.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.394 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -132.97 -3.41 3.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.453 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.401 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 12.4 mpt_? -87.71 -177.17 5.77 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.007 0.432 . . . . 0.0 110.413 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.401 ' OD1' ' O ' ' A' ' 19' ' ' ARG . 89.5 m-20 -134.94 155.97 49.8 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.353 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -130.71 160.71 33.51 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.093 0.473 . . . . 0.0 110.381 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.16 102.34 5.16 Favored 'General case' 0 CA--C 1.522 -0.134 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.693 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -96.39 100.65 12.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.724 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 89.5 mt -102.38 108.13 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.59 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 20.4 mm -102.64 120.13 51.97 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.023 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 89.2 mt -108.72 133.98 52.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.322 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.19 127.3 35.55 Favored 'General case' 0 CA--C 1.516 -0.344 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.518 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.628 ' NE2' ' NH2' ' A' ' 30' ' ' ARG . 49.2 tt0 -127.83 138.05 52.58 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.342 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -134.95 129.32 34.08 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.367 179.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.628 ' NH2' ' NE2' ' A' ' 28' ' ' GLN . 88.1 mtt-85 -122.22 138.33 54.52 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.966 0.412 . . . . 0.0 110.264 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.511 ' O ' ' C ' ' A' ' 32' ' ' GLN . . . -67.46 112.42 4.64 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.429 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.547 ' O ' ' C ' ' A' ' 33' ' ' GLU . 21.1 mt-30 -24.81 -74.89 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.463 0 O-C-N 123.663 0.602 . . . . 0.0 110.711 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.547 ' C ' ' O ' ' A' ' 32' ' ' GLN . 80.1 mm-40 -19.76 88.71 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 O-C-N 123.557 0.535 . . . . 0.0 111.658 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' GLN . . . 73.03 112.36 0.06 OUTLIER Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.888 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.438 ' C ' ' OG1' ' A' ' 36' ' ' THR . 42.2 tt0 -125.26 140.3 52.96 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 177.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.716 ' H ' ' HD2' ' A' ' 37' ' ' PRO . 0.3 OUTLIER -173.83 -40.97 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.59 0 CA-C-O 120.924 0.393 . . . . 0.0 110.215 -178.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.716 ' HD2' ' H ' ' A' ' 36' ' ' THR . 35.1 Cg_exo -57.33 155.23 30.92 Favored 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 122.811 2.341 . . . . 0.0 111.455 179.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 39' ' ' TYR . 66.5 t0 -173.75 137.82 0.62 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.538 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.468 ' N ' ' OD1' ' A' ' 38' ' ' ASP . 98.6 m-85 -143.17 26.15 1.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.659 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 3.3 mp -64.57 -58.61 12.93 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.488 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.506 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 40.3 Cg_endo -67.46 -14.9 44.0 Favored 'Trans proline' 0 C--N 1.305 -1.716 0 C-N-CA 122.765 2.31 . . . . 0.0 111.883 179.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 23.4 m -76.37 -58.33 3.35 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.252 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.9 mt -63.26 -45.03 93.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.658 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -53.09 -60.09 3.72 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -44.54 -48.44 10.22 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.676 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.86 -35.59 76.97 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.069 -179.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.5 mt -66.42 -41.82 88.66 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.413 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.436 ' N ' ' SD ' ' A' ' 48' ' ' MET . 19.6 mmm -73.54 -22.31 60.13 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 -179.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -80.62 -45.94 16.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.761 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.518 ' O ' ' N ' ' A' ' 54' ' ' TYR . 33.4 m -67.45 -40.92 85.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.011 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' A' ' 55' ' ' VAL . 3.0 mp -60.36 -62.15 2.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.705 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.5 t -53.04 -24.02 8.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.557 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -94.6 -74.55 0.54 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.469 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' A' ' 50' ' ' VAL . 54.8 m-85 -62.27 -25.1 67.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.287 -178.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.497 ' O ' ' O ' ' A' ' 51' ' ' LEU . 11.9 t -118.8 160.61 18.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.092 0.472 . . . . 0.0 110.839 -179.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.452 ' N ' HG12 ' A' ' 55' ' ' VAL . 33.5 m120 -107.73 90.6 3.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.274 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.7 m -144.56 134.73 19.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.5 179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.7 m -82.79 156.08 23.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.589 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.4 mm? -62.97 -4.74 2.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.785 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -88.15 -23.03 23.75 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.568 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -91.29 4.98 50.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.92 0.391 . . . . 0.0 110.476 -179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.6 mp -96.64 154.4 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.97 0.415 . . . . 0.0 109.957 179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -137.2 110.02 7.61 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.093 177.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.0 mm -93.8 127.95 45.49 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.436 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.027 179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.33 96.77 2.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.106 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -98.31 153.17 18.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 79.6 mt-10 -155.82 102.14 2.17 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 121.267 0.556 . . . . 0.0 110.503 179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -84.51 138.97 32.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.47 ' O ' ' O ' ' A' ' 72' ' ' MET . 42.5 tt0 -135.42 121.47 20.03 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-O 121.028 0.442 . . . . 0.0 110.314 178.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -41.05 105.34 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.5 -37.31 3.09 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.47 ' O ' ' O ' ' A' ' 69' ' ' GLN . 0.7 OUTLIER -147.06 174.02 11.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.03 0.443 . . . . 0.0 110.524 -179.408 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -145.64 146.91 31.51 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.367 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.0 m -134.59 164.15 34.85 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.228 0.537 . . . . 0.0 110.256 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.6 tp -151.45 108.58 3.56 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.844 179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -87.65 117.17 26.28 Favored 'General case' 0 C--O 1.239 0.523 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.151 179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 14.0 tp -126.0 126.35 44.16 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.53 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -128.64 134.66 48.6 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.854 179.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.7 mp -132.07 151.45 35.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.187 0 CA-C-O 120.87 0.367 . . . . 0.0 110.134 -179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.3 m -114.95 112.77 23.2 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.103 0.478 . . . . 0.0 110.143 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 mt -85.99 136.04 36.72 Favored Pre-proline 0 C--O 1.246 0.874 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.694 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.23 162.11 39.25 Favored 'Trans proline' 0 C--N 1.315 -1.216 0 C-N-CA 122.742 2.295 . . . . 0.0 112.143 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -115.52 26.53 9.98 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.052 0.453 . . . . 0.0 110.273 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -68.24 132.17 46.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.423 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -68.3 130.57 43.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.453 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -146.21 -21.84 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.561 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 64.9 t -126.34 132.49 70.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.951 0.405 . . . . 0.0 110.335 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 88' ' ' LEU . 3.7 mm? -77.77 140.84 39.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.826 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 117.907 -1.045 . . . . 0.0 110.493 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.46 ' SD ' ' O ' ' B' ' 1' ' ' MET . 2.1 tmt? . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 27.0 m -68.17 138.31 55.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.474 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 55.4 mt -65.91 -31.03 71.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.685 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 64.2 mt -44.36 -30.46 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.719 -179.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' B' ' 9' ' ' GLY . 80.7 mm-40 -71.72 -52.38 18.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.63 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 50.0 mt -63.2 -44.16 96.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.498 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.24 -43.68 95.88 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.258 -178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . 0.456 ' CD2' ' CE ' ' A' ' 72' ' ' MET . 85.4 m-85 -113.97 -70.67 0.79 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.623 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' B' ' 5' ' ' GLU . . . 71.08 -157.84 53.6 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 -98.98 135.99 39.6 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.882 0.372 . . . . 0.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 23.5 pttm -172.56 -167.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.687 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -64.78 140.98 58.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.371 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -121.79 137.97 54.56 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.563 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.537 ' C ' ' H ' ' B' ' 16' ' ' THR . 6.9 p -77.94 175.39 10.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.541 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.18 36.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.574 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.537 ' H ' ' C ' ' B' ' 14' ' ' THR . 39.0 m 44.79 85.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.541 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 18.7 m -64.36 -155.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.448 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.415 ' O ' ' OE2' ' B' ' 83' ' ' GLU . . . -134.0 -4.39 2.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.495 179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 12.4 mpt_? -86.66 -176.75 5.94 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.971 0.415 . . . . 0.0 110.397 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -135.22 156.14 49.47 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.352 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -131.13 160.23 35.33 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.118 0.485 . . . . 0.0 110.42 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -135.02 102.33 5.18 Favored 'General case' 0 N--CA 1.457 -0.09 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.573 179.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -96.45 100.52 12.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.758 179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 87.8 mt -102.18 108.09 23.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.7 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 20.0 mm -102.36 119.7 51.05 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.973 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 91.5 mt -108.37 133.29 53.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.427 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.53 129.0 40.48 Favored 'General case' 0 CA--C 1.517 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.35 179.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.608 ' NE2' ' NH2' ' B' ' 30' ' ' ARG . 50.1 tt0 -129.98 137.36 50.26 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.326 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -134.42 129.81 35.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.355 179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.608 ' NH2' ' NE2' ' B' ' 28' ' ' GLN . 87.1 mtt-85 -122.21 139.5 53.69 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.546 ' O ' ' C ' ' B' ' 32' ' ' GLN . . . -68.53 111.95 5.03 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.246 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.546 ' C ' ' O ' ' B' ' 31' ' ' ALA . 24.0 mt-30 -21.0 -77.21 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.783 0.677 . . . . 0.0 110.914 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.527 ' C ' ' O ' ' B' ' 32' ' ' GLN . 81.0 mm-40 -20.48 86.71 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.862 0.726 . . . . 0.0 111.43 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' B' ' 32' ' ' GLN . . . 73.01 126.58 0.1 OUTLIER Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 -177.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 41.3 tt0 -146.01 62.29 1.24 Allowed 'General case' 0 C--O 1.222 -0.374 0 CA-C-O 120.972 0.415 . . . . 0.0 111.613 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . 0.69 ' N ' ' CD ' ' B' ' 37' ' ' PRO . 0.2 OUTLIER -92.46 -38.61 0.36 Allowed Pre-proline 0 C--N 1.311 -1.095 0 CA-C-O 120.803 0.335 . . . . 0.0 110.718 179.127 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.69 ' CD ' ' N ' ' B' ' 36' ' ' THR . 49.2 Cg_exo -53.1 158.35 6.97 Favored 'Trans proline' 0 C--N 1.311 -1.428 0 C-N-CA 122.706 2.271 . . . . 0.0 112.231 -177.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' B' ' 39' ' ' TYR . 66.9 t0 -177.18 140.2 0.29 Allowed 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.52 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.525 ' N ' ' OD1' ' B' ' 38' ' ' ASP . 98.2 m-85 -147.86 31.46 0.86 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.586 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.514 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 2.5 mp -69.39 -57.52 6.99 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.624 179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.514 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 43.0 Cg_endo -68.68 -13.8 37.91 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.803 2.335 . . . . 0.0 111.796 179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 25.8 m -76.15 -57.89 3.6 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.108 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 97.8 mt -63.59 -45.91 88.23 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.763 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -51.46 -60.73 2.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.71 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -44.45 -48.87 10.01 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.831 -0.348 . . . . 0.0 110.841 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.56 75.89 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.166 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.89 -41.66 86.85 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.375 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 23.0 mmm -73.22 -22.38 60.44 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -80.78 -45.7 16.58 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.875 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' B' ' 54' ' ' TYR . 34.0 m -67.46 -41.15 85.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.037 179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.508 ' O ' ' O ' ' B' ' 55' ' ' VAL . 2.9 mp -60.39 -61.97 2.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.788 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 2.1 t -53.16 -24.14 9.99 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.706 -0.397 . . . . 0.0 110.528 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -94.47 -74.39 0.54 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.482 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.503 ' N ' ' O ' ' B' ' 50' ' ' VAL . 53.1 m-85 -62.29 -25.35 67.81 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.241 -177.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.508 ' O ' ' O ' ' B' ' 51' ' ' LEU . 13.2 t -118.84 160.74 18.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.23 0.538 . . . . 0.0 110.745 -179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.457 ' N ' HG12 ' B' ' 55' ' ' VAL . 33.1 m120 -107.67 90.65 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.401 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 m -144.54 134.62 19.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.46 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.403 ' C ' ' H ' ' B' ' 60' ' ' ASP . 72.3 m -83.12 155.35 23.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.581 179.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.473 HD13 ' HA ' ' B' ' 59' ' ' LEU . 4.5 mm? -63.02 -3.16 1.51 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.942 -179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . 0.403 ' H ' ' C ' ' B' ' 58' ' ' SER . 98.1 m-20 -89.27 -22.95 22.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.616 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -91.71 4.35 52.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.584 -179.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.467 ' CG2' ' CD1' ' B' ' 64' ' ' ILE . 1.7 mp -94.81 156.28 3.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.111 0.481 . . . . 0.0 109.975 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.422 ' N ' ' CG2' ' B' ' 62' ' ' ILE . 34.3 mtp180 -139.36 106.63 5.51 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.254 177.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.467 ' CD1' ' CG2' ' B' ' 62' ' ' ILE . 1.6 mp -93.3 129.16 44.17 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.056 179.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.83 98.26 3.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.458 177.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -97.38 152.75 18.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.658 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 77.0 mt-10 -155.59 102.16 2.21 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 121.287 0.565 . . . . 0.0 110.428 178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 27.0 ttmt -84.72 139.29 32.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.954 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.454 ' O ' ' O ' ' B' ' 72' ' ' MET . 42.8 tt0 -135.89 120.35 18.09 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.295 178.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -40.17 105.41 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.38 -37.06 3.18 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.119 -0.792 . . . . 0.0 111.119 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.454 ' O ' ' O ' ' B' ' 69' ' ' GLN . 0.8 OUTLIER -147.82 172.94 13.34 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.915 0.388 . . . . 0.0 110.581 -179.472 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.51 146.6 32.48 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.457 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 m -133.97 164.38 34.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-O 121.237 0.541 . . . . 0.0 110.305 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 2.3 tp -151.73 108.29 3.48 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.791 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -87.34 116.89 25.74 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.371 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 14.8 tp -125.22 127.89 47.46 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.451 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -130.19 134.63 47.42 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.642 179.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 3.8 mp -132.11 151.83 35.67 Favored 'Isoleucine or valine' 0 C--N 1.34 0.185 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 -179.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 13.8 m -115.7 111.35 20.46 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.206 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.4 mt -84.91 135.92 39.34 Favored Pre-proline 0 C--O 1.243 0.743 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.669 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -74.22 162.26 38.99 Favored 'Trans proline' 0 C--N 1.314 -1.26 0 C-N-CA 122.646 2.231 . . . . 0.0 112.152 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.415 ' OE2' ' O ' ' B' ' 18' ' ' ALA . 21.8 tt0 -115.75 27.11 9.52 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 121.105 0.479 . . . . 0.0 110.256 179.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -68.75 131.88 45.9 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.458 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -67.78 130.38 42.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.467 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 20.3 pttm -145.99 -21.75 0.45 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.491 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 64.7 t -126.42 132.97 69.76 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 120.962 0.411 . . . . 0.0 110.346 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.596 HD22 ' N ' ' B' ' 88' ' ' LEU . 3.7 mm? -78.71 138.82 38.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.832 179.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.46 -179.946 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ptm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.5 p -68.03 150.39 48.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.458 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 3' ' ' LEU . 10.3 mp -62.66 -37.96 88.45 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.404 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.439 ' O ' ' HB2' ' A' ' 8' ' ' PHE . 37.4 mm -42.66 -29.5 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.204 0.526 . . . . 0.0 110.527 -179.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -79.97 -48.53 13.23 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.928 0.394 . . . . 0.0 111.416 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.575 ' O ' HD23 ' A' ' 6' ' ' LEU . 2.5 tt -74.46 -55.78 5.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.282 0.563 . . . . 0.0 111.466 -178.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.861 HD11 ' CD2' ' A' ' 8' ' ' PHE . 0.5 OUTLIER -55.53 -32.48 62.98 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.575 -179.09 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.861 ' CD2' HD11 ' A' ' 7' ' ' LEU . 0.6 OUTLIER -115.68 -83.0 0.62 Allowed 'General case' 0 C--N 1.343 0.284 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 48.85 13.66 0.33 Allowed Glycine 0 CA--C 1.517 0.173 0 N-CA-C 110.652 -0.979 . . . . 0.0 110.652 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.455 ' N ' ' C ' ' A' ' 8' ' ' PHE . 17.2 tpp180 -112.38 116.12 29.82 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.84 0.353 . . . . 0.0 110.538 -179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -168.02 36.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.687 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -57.77 -41.07 81.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.483 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -167.96 82.45 0.18 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.448 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.9 m -122.71 125.79 46.24 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.347 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.26 162.58 13.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.529 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.3 p -54.2 105.46 0.15 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.427 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.639 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 14.8 p -66.89 -12.03 14.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.638 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . 79.79 -44.74 0.3 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -167.56 1.58 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.235 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 21' ' ' ARG . 42.1 t0 -139.75 138.2 35.71 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.179 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.496 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 97.2 mtt180 -120.22 156.93 30.17 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.346 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 82.5 mt -133.32 109.49 9.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.604 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.517 HE21 HD11 ' A' ' 25' ' ' ILE . 59.0 tt0 -101.61 94.78 6.05 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.074 -0.512 . . . . 0.0 109.764 179.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 70.6 mt -99.91 112.92 33.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-O 121.023 0.439 . . . . 0.0 111.021 -179.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.517 HD11 HE21 ' A' ' 23' ' ' GLN . 90.2 mt -109.39 125.24 66.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 109.779 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.5 mt -114.09 135.61 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.366 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.693 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.17 93.97 3.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.899 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.419 HE21 ' HB2' ' A' ' 73' ' ' ASP . 14.0 pt20 -96.45 141.17 30.07 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.556 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -128.48 109.11 11.1 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.504 ' NH1' ' O ' ' A' ' 37' ' ' PRO . 48.0 mtm180 -104.82 139.16 39.99 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -178.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -77.3 112.24 13.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.171 179.421 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -38.79 -27.49 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.796 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' N ' ' O ' ' A' ' 31' ' ' ALA . 82.8 tt0 -69.56 147.81 50.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.357 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 87.75 -102.14 2.78 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -161.62 -65.51 0.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.906 0.384 . . . . 0.0 110.233 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.411 ' O ' ' OG1' ' A' ' 36' ' ' THR . 4.8 p 50.0 93.15 0.05 OUTLIER Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.718 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.504 ' O ' ' NH1' ' A' ' 30' ' ' ARG . 59.3 Cg_endo -79.91 -179.74 5.55 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.637 2.224 . . . . 0.0 112.005 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -58.48 140.94 53.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.55 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.473 ' CD2' ' O ' ' A' ' 37' ' ' PRO . 55.2 m-85 -128.47 -9.8 5.14 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.64 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 3.3 mp -67.29 -42.81 41.18 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.554 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 26.8 Cg_exo -62.58 -24.46 75.15 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.638 2.225 . . . . 0.0 111.884 -179.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 75.2 m -77.77 -55.16 5.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.112 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 49.9 mt -65.45 -44.08 88.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 -179.309 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.0 ttp180 -59.4 -45.22 92.1 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.834 0.35 . . . . 0.0 110.717 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -61.61 -47.94 83.17 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 120.449 -0.501 . . . . 0.0 111.083 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.51 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -60.35 -36.35 77.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.946 0.403 . . . . 0.0 110.726 -179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.9 mt -71.5 -41.89 68.71 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.235 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.1 mmt -65.29 -34.12 77.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.701 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -81.2 -43.17 19.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.028 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.51 HG23 ' O ' ' A' ' 46' ' ' ALA . 48.3 t -64.55 -48.75 83.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.577 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 55' ' ' VAL . 71.4 mt -59.2 -55.7 31.63 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.557 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 10.2 t -51.84 -28.27 15.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.801 0.334 . . . . 0.0 110.691 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 56.0 mtmt -93.33 -68.75 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.266 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.425 ' N ' ' O ' ' A' ' 50' ' ' VAL . 31.9 m-85 -61.78 -24.29 66.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.111 -179.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.474 ' N ' ' O ' ' A' ' 51' ' ' LEU . 15.2 t -123.6 156.77 30.18 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.932 0.396 . . . . 0.0 110.495 -179.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.34 92.91 5.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.644 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 m -149.75 136.42 12.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.39 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.487 ' C ' ' H ' ' A' ' 60' ' ' ASP . 43.0 t -87.47 151.04 23.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.511 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.495 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.2 mm? -58.9 -2.93 0.27 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.431 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' A' ' 58' ' ' SER . 35.8 t70 -88.65 -26.23 21.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.819 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -96.8 13.58 28.1 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-O 120.703 0.287 . . . . 0.0 110.432 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 26.5 mm -97.74 116.79 41.19 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.467 0 CA-C-O 121.188 0.518 . . . . 0.0 111.457 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.453 ' O ' HD12 ' A' ' 77' ' ' LEU . 75.7 ttt180 -96.6 101.77 13.44 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.365 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 2.3 tp -94.24 135.68 27.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.047 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.1 m -146.88 95.9 2.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.202 179.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 54.5 tt0 -91.28 148.46 22.32 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.672 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 14.5 mt-10 -153.21 143.87 22.68 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.484 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -139.68 147.68 41.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.823 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -158.02 94.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.182 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 71' ' ' GLY . 20.7 t0 68.74 -152.68 0.15 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.543 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.511 ' H ' ' CG ' ' A' ' 70' ' ' ASP . . . -65.11 4.35 1.8 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.673 ' SD ' ' CD2' ' B' ' 8' ' ' PHE . 51.3 ttm -112.98 133.12 55.09 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 120.7 0.286 . . . . 0.0 110.626 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.419 ' HB2' HE21 ' A' ' 28' ' ' GLN . 96.7 m-20 -130.78 148.54 52.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.112 179.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 22.5 m -135.03 162.87 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.496 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 42.4 tp -147.16 107.39 4.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.457 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -94.65 122.45 37.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.135 179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.453 HD12 ' O ' ' A' ' 63' ' ' ARG . 54.7 tp -131.54 126.5 35.04 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.819 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -123.74 118.78 27.99 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 178.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.46 138.32 44.89 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 121.011 0.434 . . . . 0.0 110.165 -179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.9 m -107.12 107.08 17.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.758 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.6 mp -81.01 141.39 50.58 Favored Pre-proline 0 C--O 1.242 0.672 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.429 -179.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -70.54 -173.85 0.92 Allowed 'Trans proline' 0 N--CA 1.49 1.269 0 C-N-CA 122.792 2.328 . . . . 0.0 112.125 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 85' ' ' LYS . 0.2 OUTLIER -87.87 -12.14 45.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.131 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.443 ' N ' ' OE1' ' A' ' 83' ' ' GLU . 93.6 mt-30 55.9 -84.83 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.482 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 83' ' ' GLU . 69.0 mmtt -47.24 104.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.664 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -171.97 -28.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.708 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.2 t -136.38 -18.13 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.582 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 88' ' ' LEU . 10.7 mp -63.21 -41.28 99.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.446 -179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 . . . . . 0 C--N 1.326 -0.438 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.449 179.868 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.517 ' SD ' ' O ' ' B' ' 1' ' ' MET . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.1 p -64.8 149.47 49.3 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.516 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.561 ' N ' HD12 ' B' ' 3' ' ' LEU . 10.0 mp -62.59 -38.06 88.66 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.312 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.433 ' O ' ' HB2' ' B' ' 8' ' ' PHE . 35.7 mm -42.4 -29.84 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-O 121.177 0.513 . . . . 0.0 110.602 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -79.87 -48.77 12.94 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.439 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.573 ' O ' HD23 ' B' ' 6' ' ' LEU . 2.4 tt -74.01 -56.52 4.84 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.245 0.545 . . . . 0.0 111.503 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.851 HD11 ' CD2' ' B' ' 8' ' ' PHE . 0.5 OUTLIER -54.8 -31.87 59.59 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.6 -179.077 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . 0.851 ' CD2' HD11 ' B' ' 7' ' ' LEU . 0.6 OUTLIER -116.1 -82.71 0.62 Allowed 'General case' 0 C--N 1.342 0.26 0 N-CA-C 110.136 -0.32 . . . . 0.0 110.136 -179.845 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 48.24 16.93 0.57 Allowed Glycine 0 CA--C 1.518 0.241 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.433 ' N ' ' C ' ' B' ' 8' ' ' PHE . 17.3 tpp180 -115.57 116.23 27.79 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.919 0.39 . . . . 0.0 110.517 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -168.39 36.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.719 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -58.78 -41.25 86.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.61 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -167.23 82.19 0.22 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.444 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 99.8 m -123.04 126.41 47.05 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.3 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -106.34 163.03 13.16 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.421 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 25.2 p -54.34 105.59 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.442 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.639 ' O ' ' HB3' ' B' ' 18' ' ' ALA . 14.9 p -66.82 -12.75 15.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.677 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' B' ' 17' ' ' VAL . . . 80.37 -44.54 0.26 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.466 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.23 -167.93 1.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.165 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.509 ' OD1' ' N ' ' B' ' 21' ' ' ARG . 41.9 t0 -139.16 137.53 36.15 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.291 179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.509 ' N ' ' OD1' ' B' ' 20' ' ' ASP . 96.8 mtt180 -119.37 157.57 27.9 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.244 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 86.1 mt -133.85 110.08 9.52 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.557 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.459 HE21 HD11 ' B' ' 25' ' ' ILE . 58.8 tt0 -101.93 94.97 6.07 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.705 179.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 71.9 mt -100.21 112.35 32.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.006 0.432 . . . . 0.0 111.067 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . 0.459 HD11 HE21 ' B' ' 23' ' ' GLN . 88.6 mt -109.26 125.03 66.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.797 179.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 95.2 mt -113.88 136.23 51.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.712 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -133.81 93.78 3.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.905 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.433 HE21 ' HB2' ' B' ' 73' ' ' ASP . 14.0 pt20 -96.45 140.98 30.3 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.511 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -128.01 109.61 11.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.769 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.529 ' NH1' ' O ' ' B' ' 37' ' ' PRO . 46.4 mtm180 -105.5 139.92 39.38 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.722 -178.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' B' ' 33' ' ' GLU . . . -78.21 112.15 14.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.268 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' B' ' 31' ' ' ALA . 15.7 pt20 -38.32 -26.94 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.716 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' B' ' 31' ' ' ALA . 80.1 tt0 -69.72 149.23 48.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.437 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 86.02 -102.42 2.68 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -160.97 -66.24 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.898 0.38 . . . . 0.0 110.104 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . 0.454 ' O ' ' OG1' ' B' ' 36' ' ' THR . 3.2 p 51.22 92.63 0.06 OUTLIER Pre-proline 0 CA--C 1.538 0.503 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.843 179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.529 ' O ' ' NH1' ' B' ' 30' ' ' ARG . 60.2 Cg_endo -79.37 -179.48 5.43 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.61 2.207 . . . . 0.0 111.959 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -59.57 140.14 56.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.465 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.452 ' CD2' ' O ' ' B' ' 37' ' ' PRO . 56.2 m-85 -127.21 -9.62 5.86 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.582 179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.613 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 3.6 mp -66.95 -43.5 47.73 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.457 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 27.1 Cg_exo -62.22 -24.56 76.24 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.53 2.154 . . . . 0.0 112.116 -179.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 86.9 m -77.49 -53.91 7.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.07 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 50.0 mt -66.91 -44.06 81.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.418 ' HD2' HD11 ' B' ' 64' ' ' ILE . 58.9 ttp180 -59.54 -44.24 93.29 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.85 -179.493 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 7.4 ttpt -62.2 -47.93 82.27 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.449 -0.5 . . . . 0.0 111.042 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.498 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -60.74 -36.09 78.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.932 0.396 . . . . 0.0 110.806 -179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -71.84 -42.16 67.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.24 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 18.4 mmt -65.33 -33.73 76.66 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.194 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -81.49 -43.61 18.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 46' ' ' ALA . 49.7 t -64.37 -48.69 84.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.525 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.468 ' O ' ' O ' ' B' ' 55' ' ' VAL . 73.5 mt -59.09 -55.5 34.27 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.54 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 9.2 t -52.03 -28.23 16.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.675 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -93.43 -69.05 0.77 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.225 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.463 ' N ' ' O ' ' B' ' 50' ' ' VAL . 32.0 m-85 -61.7 -24.23 66.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.106 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.468 ' O ' ' O ' ' B' ' 51' ' ' LEU . 14.5 t -123.39 156.65 29.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 120.913 0.387 . . . . 0.0 110.532 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.3 93.26 5.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.595 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 4.2 m -149.83 135.79 11.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.32 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.525 ' C ' ' H ' ' B' ' 60' ' ' ASP . 41.6 t -87.42 147.84 25.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.433 179.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.483 HD22 ' N ' ' B' ' 59' ' ' LEU . 4.2 mm? -55.76 -2.87 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.703 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . 0.525 ' H ' ' C ' ' B' ' 58' ' ' SER . 38.7 t70 -88.34 -23.69 23.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.531 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -99.47 11.93 37.79 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.629 0.252 . . . . 0.0 110.593 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.418 HD13 ' O ' ' B' ' 58' ' ' SER . 1.0 OUTLIER -95.54 114.4 32.1 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.443 0 CA-C-O 120.996 0.427 . . . . 0.0 110.459 -179.761 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.467 ' O ' HD12 ' B' ' 77' ' ' LEU . 74.7 ttt180 -94.67 101.37 13.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.271 179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.418 HD11 ' HD2' ' B' ' 44' ' ' ARG . 2.4 tp -93.54 134.99 29.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.843 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 10.5 m -146.23 95.77 2.67 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.109 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -91.18 148.69 22.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.714 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -153.29 143.87 22.59 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.509 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 21.8 pttp -139.63 147.19 40.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.685 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -157.57 95.79 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.261 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.504 ' CG ' ' H ' ' B' ' 71' ' ' GLY . 20.5 t0 67.83 -151.96 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.543 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . 0.504 ' H ' ' CG ' ' B' ' 70' ' ' ASP . . . -65.6 4.42 2.16 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 -179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.619 ' SD ' ' CE2' ' A' ' 8' ' ' PHE . 9.0 tpp -112.9 133.96 54.63 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-O 120.762 0.315 . . . . 0.0 110.708 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . 0.433 ' HB2' HE21 ' B' ' 28' ' ' GLN . 96.3 m-20 -131.46 146.74 52.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.153 179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.422 HG11 ' CD1' ' A' ' 4' ' ' ILE . 6.4 m -133.86 161.82 40.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.579 -179.756 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 43.3 tp -146.61 108.02 4.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.602 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -95.18 123.94 38.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.084 179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.467 HD12 ' O ' ' B' ' 63' ' ' ARG . 53.0 tp -133.0 125.61 30.1 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.799 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 67.8 m-80 -122.56 119.08 29.8 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.867 178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 2.1 mp -114.52 138.39 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.345 0 CA-C-O 121.023 0.44 . . . . 0.0 110.308 -179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 91.0 m -107.67 106.87 17.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.782 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 9.7 mp -80.92 141.88 51.5 Favored Pre-proline 0 C--O 1.241 0.619 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.322 -179.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -71.07 -174.24 1.11 Allowed 'Trans proline' 0 C--N 1.317 -1.122 0 C-N-CA 122.895 2.396 . . . . 0.0 112.179 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.515 ' O ' ' N ' ' B' ' 85' ' ' LYS . 0.2 OUTLIER -87.44 -11.15 49.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.164 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . 0.417 ' N ' ' OE1' ' B' ' 83' ' ' GLU . 90.6 mt-30 55.08 -83.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.582 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' B' ' 83' ' ' GLU . 68.3 mmtt -48.72 106.49 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.567 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -173.33 -29.49 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.596 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 26.4 t -135.26 -17.93 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.509 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.503 ' N ' HD12 ' B' ' 88' ' ' LEU . 10.9 mp -63.47 -41.21 98.61 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.517 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.479 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 mtm . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.2 t -69.82 144.9 52.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.622 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 3' ' ' LEU . 10.3 mp -71.08 -28.32 64.25 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.694 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.0 mt -43.29 -28.71 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.648 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -72.15 -56.57 5.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.593 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 6' ' ' LEU . 9.5 mp -63.39 -44.06 95.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.686 -179.509 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.4 mt -59.94 -45.62 92.05 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.566 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.587 ' CE1' ' SD ' ' B' ' 72' ' ' MET . 47.7 m-85 -120.27 -78.97 0.6 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.48 -57.6 2.47 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -179.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -73.62 141.39 46.56 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.927 0.394 . . . . 0.0 110.148 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.669 ' O ' ' N ' ' A' ' 13' ' ' LYS . 15.7 ptmt -163.71 14.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.55 ' O ' ' C ' ' A' ' 13' ' ' LYS . 88.5 mt-30 -39.22 82.21 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.565 0 O-C-N 123.775 0.672 . . . . 0.0 110.455 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.669 ' N ' ' O ' ' A' ' 11' ' ' LYS . 83.8 tttt 8.33 86.69 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 124.338 1.024 . . . . 0.0 111.357 -178.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.515 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.8 t -76.89 -0.05 22.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.255 -178.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.515 ' HB3' ' O ' ' A' ' 14' ' ' THR . . . 71.49 34.6 1.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.62 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.447 ' O ' ' O ' ' A' ' 15' ' ' ALA . 8.4 p 58.4 123.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.692 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.645 ' O ' ' HB3' ' A' ' 18' ' ' ALA . 14.8 p -69.44 -26.91 32.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.578 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.645 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . 80.1 31.31 0.22 Allowed 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.726 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.558 ' H ' HG13 ' A' ' 17' ' ' VAL . 3.1 mmt-85 -158.19 172.59 18.11 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.253 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -117.32 137.53 52.37 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.738 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.427 ' CG ' HD21 ' A' ' 78' ' ' ASN . 43.2 ttm180 -134.6 158.2 44.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.541 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.99 110.07 5.62 Favored 'General case' 0 C--O 1.224 -0.253 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.611 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -102.99 102.12 12.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.184 179.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 79.8 mt -102.6 112.68 36.81 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 120.912 0.387 . . . . 0.0 110.656 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.04 125.24 56.24 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.5 mt -112.0 131.28 63.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.498 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -127.35 108.62 11.0 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.732 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.68 HE22 ' H ' ' A' ' 39' ' ' TYR . 31.4 tt0 -103.66 115.95 31.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.684 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -115.0 116.73 28.93 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.658 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -120.57 136.99 54.64 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.049 -179.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.544 ' O ' ' N ' ' A' ' 33' ' ' GLU . . . -71.59 115.2 10.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.474 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -41.27 -19.25 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' A' ' 31' ' ' ALA . 51.3 tp10 -38.9 -79.6 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.7 -167.46 0.35 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.633 ' O ' ' OG1' ' A' ' 36' ' ' THR . 50.2 mt-30 -81.55 20.8 0.86 Allowed 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 115.707 -0.247 . . . . 0.0 110.903 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.633 ' OG1' ' O ' ' A' ' 35' ' ' GLN . 17.8 p 60.68 79.47 0.28 Allowed Pre-proline 0 C--N 1.316 -0.881 0 O-C-N 123.518 0.511 . . . . 0.0 111.88 179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -80.85 113.41 2.77 Favored 'Trans proline' 0 C--N 1.311 -1.401 0 C-N-CA 122.68 2.253 . . . . 0.0 110.877 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 51.6 p-10 -107.77 153.11 23.45 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.048 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.68 ' H ' HE22 ' A' ' 28' ' ' GLN . 72.6 m-85 -142.05 30.32 1.62 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.291 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.491 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 2.6 mt -56.55 -61.04 7.5 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.327 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 20.0 Cg_endo -60.13 -14.6 29.53 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.544 2.163 . . . . 0.0 111.711 -178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.1 m -73.83 -55.06 6.67 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.833 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 60.5 mt -67.87 -49.98 58.99 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.783 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.518 ' O ' ' SD ' ' A' ' 48' ' ' MET . 70.7 ttp85 -48.96 -56.31 9.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.802 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -50.1 -49.98 49.85 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.576 -0.449 . . . . 0.0 110.718 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.456 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -57.42 -36.16 71.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.146 0.498 . . . . 0.0 110.434 -179.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.52 -41.54 75.88 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.445 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -62.86 -31.37 72.39 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.574 -179.068 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -85.77 -41.4 15.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.198 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 54' ' ' TYR . 55.5 t -65.67 -47.94 84.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.497 179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.443 ' O ' ' O ' ' A' ' 55' ' ' VAL . 81.9 mt -60.81 -56.47 20.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.054 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.0 t -53.08 -23.54 8.08 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.878 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -96.94 -71.42 0.68 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.522 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.479 ' N ' ' O ' ' A' ' 50' ' ' VAL . 46.0 m-85 -61.19 -27.35 68.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.354 -178.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.443 ' O ' ' O ' ' A' ' 51' ' ' LEU . 19.7 t -116.96 158.79 17.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.009 0.433 . . . . 0.0 110.435 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.443 ' N ' HG12 ' A' ' 55' ' ' VAL . 91.6 m-20 -99.27 72.62 1.85 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.597 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.0 m -138.17 133.86 44.03 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.389 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.412 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.0 p -89.55 166.84 13.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.442 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.9 mt -67.77 -15.67 63.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.534 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -82.44 -25.69 33.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.914 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -97.88 8.1 45.27 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-O 120.799 0.333 . . . . 0.0 110.514 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 12.3 mt -102.52 122.36 54.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 121.075 0.464 . . . . 0.0 110.518 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -93.32 134.58 35.39 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.782 178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.4 mt -131.34 137.46 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.638 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.423 ' OG ' ' OE2' ' A' ' 67' ' ' GLU . 9.3 t -152.37 128.13 10.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.335 179.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -115.78 150.85 36.25 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.575 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 55.7 mp0 -144.02 101.35 3.71 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.374 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -82.0 133.09 35.27 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.215 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.449 ' O ' ' O ' ' A' ' 72' ' ' MET . 39.6 tp60 -165.51 117.76 1.13 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.853 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.547 ' C ' ' H ' ' A' ' 72' ' ' MET . 96.4 m-20 54.38 -170.93 0.05 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.194 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -69.93 25.08 0.41 Allowed Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.593 ' SD ' ' CE1' ' B' ' 8' ' ' PHE . 42.7 ttp -138.61 117.28 12.22 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.888 0.375 . . . . 0.0 110.058 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -102.33 150.99 22.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.355 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.433 ' O ' ' OE1' ' A' ' 67' ' ' GLU . 60.0 t -133.69 120.05 35.69 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.335 179.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tp -109.13 108.27 18.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.072 0.463 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -85.86 109.74 18.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.866 179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 9.2 tp -116.26 128.19 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.656 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.685 HD22 ' N ' ' A' ' 79' ' ' ILE . 0.9 OUTLIER -133.4 126.26 30.86 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.415 179.555 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.685 ' N ' HD22 ' A' ' 78' ' ' ASN . 3.8 mp -120.2 143.4 32.14 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.222 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.0 m -111.7 107.28 16.32 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 81' ' ' LEU . 10.9 mp -78.43 133.83 63.1 Favored Pre-proline 0 C--O 1.242 0.704 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.509 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -74.25 -164.6 0.22 Allowed 'Trans proline' 0 N--CA 1.487 1.102 0 C-N-CA 122.769 2.313 . . . . 0.0 112.057 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -135.97 141.4 44.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.496 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -77.69 122.17 24.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.336 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -90.01 -77.9 0.38 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.76 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -91.17 139.67 30.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.463 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.5 t -106.52 -40.54 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.474 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 88' ' ' LEU . 8.6 mp -71.9 146.74 47.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.483 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.474 -179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.7 mtp . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 40.8 t -69.84 146.08 51.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.611 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.544 ' N ' HD12 ' B' ' 3' ' ' LEU . 10.3 mp -72.19 -27.88 62.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.61 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.405 ' H ' HG13 ' B' ' 4' ' ' ILE . 60.7 mt -43.66 -28.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.455 -0.338 . . . . 0.0 110.708 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -72.05 -56.36 5.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.727 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.55 ' N ' HD12 ' B' ' 6' ' ' LEU . 9.7 mp -63.29 -44.06 96.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.686 -179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 86.0 mt -60.28 -45.85 91.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.669 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . 0.593 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 48.4 m-85 -120.57 -81.57 0.64 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.781 179.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 76.03 -54.81 3.09 Favored Glycine 0 CA--C 1.527 0.841 0 N-CA-C 110.657 -0.977 . . . . 0.0 110.657 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -76.57 138.99 40.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.94 0.4 . . . . 0.0 110.408 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.706 ' O ' ' N ' ' B' ' 13' ' ' LYS . 5.3 ptpt -161.96 19.22 0.1 Allowed 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.778 179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.535 ' O ' ' C ' ' B' ' 13' ' ' LYS . 88.4 mt-30 -42.01 78.25 0.0 OUTLIER 'General case' 0 CA--C 1.513 -0.456 0 O-C-N 123.95 0.781 . . . . 0.0 110.425 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.706 ' N ' ' O ' ' B' ' 11' ' ' LYS . 82.9 tttt 12.7 85.96 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 O-C-N 124.243 0.965 . . . . 0.0 111.245 -178.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.486 ' O ' ' HB3' ' B' ' 15' ' ' ALA . 3.5 t -76.91 2.45 14.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.297 -178.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' B' ' 14' ' ' THR . . . 69.25 35.07 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.602 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.455 ' O ' ' O ' ' B' ' 15' ' ' ALA . 10.3 p 57.98 123.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.644 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.608 ' O ' ' HB3' ' B' ' 18' ' ' ALA . 14.4 p -69.68 -26.5 30.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.802 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.608 ' HB3' ' O ' ' B' ' 17' ' ' VAL . . . 77.66 36.29 0.27 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.348 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.471 ' H ' HG13 ' B' ' 17' ' ' VAL . 2.0 tpt180 -164.18 167.04 20.55 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.071 179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.36 139.4 47.95 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 116.341 -0.391 . . . . 0.0 109.965 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.432 ' CG ' HD21 ' B' ' 78' ' ' ASN . 43.4 ttm180 -136.06 157.59 46.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.559 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -142.31 111.59 6.53 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.735 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -104.45 101.37 11.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.109 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 83.2 mt -101.85 112.87 36.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.976 0.417 . . . . 0.0 110.826 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 4.0 mp -102.04 124.75 56.11 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.305 0 CA-C-N 116.042 -0.527 . . . . 0.0 109.772 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 94.8 mt -111.79 131.39 63.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.485 -179.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -127.25 108.7 11.1 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.782 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.688 HE22 ' H ' ' B' ' 39' ' ' TYR . 31.3 tt0 -103.6 117.09 33.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.554 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -116.42 115.3 25.6 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 32.1 ptt-85 -118.07 136.08 53.79 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.823 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.517 ' O ' ' N ' ' B' ' 33' ' ' GLU . . . -71.12 114.71 9.46 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.496 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.428 ' O ' ' C ' ' B' ' 33' ' ' GLU . 15.3 pt20 -41.97 -20.14 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.517 ' N ' ' O ' ' B' ' 31' ' ' ALA . 53.7 tp10 -33.92 -88.39 0.0 OUTLIER 'General case' 0 C--N 1.339 0.127 0 O-C-N 123.325 0.391 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.442 ' O ' ' O ' ' B' ' 33' ' ' GLU . . . -54.4 -163.28 0.01 OUTLIER Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.792 -0.923 . . . . 0.0 110.792 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.718 ' O ' HG23 ' B' ' 36' ' ' THR . 72.3 mt-30 -66.33 -60.79 2.44 Favored 'General case' 0 CA--C 1.497 -1.09 0 CA-C-O 118.096 -0.954 . . . . 0.0 109.411 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . 0.718 HG23 ' O ' ' B' ' 35' ' ' GLN . 1.0 OUTLIER 144.4 77.88 0.0 OUTLIER Pre-proline 0 N--CA 1.488 1.464 0 O-C-N 125.311 1.632 . . . . 0.0 110.323 -179.505 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -77.14 106.49 2.25 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 122.264 1.976 . . . . 0.0 112.085 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 52.7 p-10 -106.27 147.71 28.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.546 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.688 ' H ' HE22 ' B' ' 28' ' ' GLN . 68.3 m-85 -137.63 31.8 2.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.274 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.498 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 2.5 mt -57.88 -61.12 7.99 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 21.6 Cg_endo -60.08 -15.2 32.39 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.639 2.226 . . . . 0.0 111.835 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 8.4 m -73.48 -54.85 7.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.836 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 56.1 mt -68.39 -49.96 56.35 Favored 'General case' 0 C--O 1.225 -0.219 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.694 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.521 ' O ' ' SD ' ' B' ' 48' ' ' MET . 70.6 ttp85 -48.71 -56.44 8.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.718 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -50.0 -50.75 46.12 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.698 -179.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.438 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -56.84 -36.25 69.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.177 0.513 . . . . 0.0 110.504 -179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.23 -41.75 76.59 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.43 178.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . 0.597 ' N ' ' SD ' ' B' ' 48' ' ' MET . 0.0 OUTLIER -62.88 -31.2 72.19 Favored 'General case' 0 C--N 1.312 -1.04 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.614 -179.05 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -85.6 -41.72 14.99 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.175 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' B' ' 54' ' ' TYR . 53.7 t -65.34 -47.88 85.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.415 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' B' ' 55' ' ' VAL . 84.0 mt -61.03 -56.11 24.87 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.305 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 29.5 t -53.03 -23.52 7.69 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.793 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -97.48 -71.1 0.7 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.477 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.456 ' N ' ' O ' ' B' ' 50' ' ' VAL . 44.6 m-85 -61.16 -27.51 68.45 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.3 -178.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.448 HG12 ' N ' ' B' ' 56' ' ' ASN . 18.8 t -117.06 159.08 17.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.961 0.41 . . . . 0.0 110.456 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.448 ' N ' HG12 ' B' ' 55' ' ' VAL . 91.2 m-20 -99.45 72.46 1.81 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.601 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 6.9 m -138.09 133.88 44.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.378 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 87.5 p -89.75 167.34 12.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.392 179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.0 mt -68.12 -15.46 63.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.443 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -82.67 -26.31 32.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 74.3 m-80 -97.27 8.19 45.05 Favored 'General case' 0 C--O 1.226 -0.177 0 CA-C-O 120.72 0.295 . . . . 0.0 110.411 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 12.7 mt -102.73 122.29 54.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.989 0.423 . . . . 0.0 110.59 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -93.48 135.16 35.0 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.626 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 96.2 mt -131.95 137.53 54.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.814 179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 11.5 t -152.15 130.9 12.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.28 179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -118.53 150.56 39.43 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.474 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.525 ' N ' ' OE1' ' B' ' 67' ' ' GLU . 55.3 mp0 -143.97 102.55 3.91 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.105 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -83.24 131.85 35.08 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.933 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.46 ' O ' ' O ' ' B' ' 72' ' ' MET . 0.2 OUTLIER -161.31 123.1 2.95 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.206 178.614 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.492 ' C ' ' H ' ' B' ' 72' ' ' MET . 95.5 m-20 48.54 -166.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.93 179.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -73.23 25.71 0.85 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.587 ' SD ' ' CE1' ' A' ' 8' ' ' PHE . 42.5 ttp -138.7 115.87 11.03 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.877 0.37 . . . . 0.0 110.251 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -100.92 151.79 21.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.333 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.432 ' O ' ' OE1' ' B' ' 67' ' ' GLU . 61.2 t -134.38 120.04 32.15 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.285 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.246 179.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 5.7 tp -109.34 108.66 19.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.001 0.429 . . . . 0.0 111.086 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -85.88 110.34 19.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.935 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 9.0 tp -116.84 128.59 55.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.569 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . 0.693 HD22 ' N ' ' B' ' 79' ' ' ILE . 0.8 OUTLIER -133.76 127.14 32.13 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.403 179.668 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.693 ' N ' HD22 ' B' ' 78' ' ' ASN . 3.8 mp -121.35 143.68 32.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 -179.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 1.5 m -111.93 106.92 15.75 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.457 HD12 ' N ' ' B' ' 81' ' ' LEU . 10.9 mp -77.89 133.4 65.83 Favored Pre-proline 0 C--O 1.243 0.76 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.394 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.68 -163.56 0.17 Allowed 'Trans proline' 0 N--CA 1.487 1.129 0 C-N-CA 122.664 2.243 . . . . 0.0 112.178 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.404 ' CD ' ' NH1' ' B' ' 19' ' ' ARG . 16.5 pt-20 -136.77 141.24 42.97 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.443 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -77.92 121.45 24.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.339 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -89.39 -78.32 0.36 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.825 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 22.8 pttp -90.65 138.78 31.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.608 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 18.8 t -105.38 -41.61 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.457 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.59 ' N ' HD12 ' B' ' 88' ' ' LEU . 9.0 mp -70.4 148.81 47.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.547 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.452 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 82.1 mtp . . . . . 0 N--CA 1.489 1.508 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.439 ' OG ' ' OE1' ' A' ' 5' ' ' GLU . 11.3 p -71.29 129.19 38.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.41 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 52.6 mt -66.22 -36.02 81.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.022 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 56.4 mt -53.65 -28.6 16.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.665 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 9' ' ' GLY . 8.0 mp0 -77.48 -51.39 10.82 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.812 179.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 tt -59.51 -41.53 90.13 Favored 'General case' 0 C--N 1.317 -0.811 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.981 -179.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -64.22 -41.0 97.21 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.667 -179.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.589 ' CE2' ' SD ' ' B' ' 72' ' ' MET . 99.3 m-85 -119.99 36.9 4.37 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.834 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.578 ' N ' ' O ' ' A' ' 5' ' ' GLU . . . -112.36 62.35 0.3 Allowed Glycine 0 N--CA 1.472 1.046 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 50.8 ttt-85 -150.68 -51.7 0.13 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.843 0.354 . . . . 0.0 110.47 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.26 162.45 37.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.493 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -170.61 68.68 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.463 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -74.57 -176.24 2.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.56 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 28.3 m -60.45 127.45 31.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.437 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -171.65 95.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.263 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.5 m -128.09 130.65 48.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.303 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.502 ' O ' ' HB1' ' B' ' 31' ' ' ALA . 34.1 m -137.34 -167.49 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.164 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -121.12 9.31 10.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.64 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -106.89 -174.68 2.59 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 121.505 0.669 . . . . 0.0 110.542 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.91 164.91 30.52 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.026 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 84.2 mtm-85 -135.96 155.23 50.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.454 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.99 99.44 4.43 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.301 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -94.85 95.89 8.97 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.463 179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 91.5 mt -96.32 111.39 26.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.298 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.0 mt -113.11 131.94 63.33 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.404 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 72.2 mt -126.26 144.7 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.474 -179.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.96 103.07 6.1 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.101 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -95.72 122.47 38.52 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.235 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 17.5 mp0 -117.34 111.6 19.57 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.142 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.3 ttp85 -105.49 125.6 51.17 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.176 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.477 ' HB1' ' O ' ' B' ' 17' ' ' VAL . . . -71.77 127.74 33.54 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.128 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.698 HE21 ' N ' ' A' ' 32' ' ' GLN . 2.2 mm-40 -28.45 -68.2 0.06 Allowed 'General case' 0 N--CA 1.471 0.624 0 O-C-N 123.796 0.685 . . . . 0.0 110.834 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -48.39 136.09 13.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.431 179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.84 161.55 34.44 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -140.43 126.57 19.72 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 120.843 0.354 . . . . 0.0 110.237 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -141.49 153.45 65.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.371 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -65.38 -170.61 0.17 Allowed 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 122.737 2.291 . . . . 0.0 112.153 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -89.19 136.94 32.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.611 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -112.0 1.19 16.29 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.679 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.574 ' N ' ' HD2' ' A' ' 41' ' ' PRO . 6.5 mt -64.97 -49.27 68.85 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.814 179.011 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.574 ' HD2' ' N ' ' A' ' 40' ' ' LEU . 58.2 Cg_endo -72.19 -14.29 28.62 Favored 'Trans proline' 0 C--N 1.312 -1.379 0 C-N-CA 122.345 2.03 . . . . 0.0 112.065 -179.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 86.8 m -77.38 -58.93 3.0 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.942 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.22 -44.19 89.06 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.945 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.73 ' HE ' HD12 ' A' ' 64' ' ' ILE . 59.1 ttt-85 -57.97 -53.74 54.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.487 -0.324 . . . . 0.0 111.13 -179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -50.53 -45.38 56.77 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.879 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.49 ' O ' HG23 ' A' ' 50' ' ' VAL . . . -63.49 -33.5 75.72 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.782 0.325 . . . . 0.0 110.864 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.32 -44.1 63.16 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.945 0.402 . . . . 0.0 111.55 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.8 mtp -66.33 -32.65 74.19 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.655 -179.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -81.76 -43.61 18.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.013 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 46' ' ' ALA . 48.6 t -66.21 -47.33 84.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 O-C-N 123.262 0.351 . . . . 0.0 110.401 179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.518 ' O ' ' N ' ' A' ' 55' ' ' VAL . 63.5 mt -59.7 -51.39 69.97 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.575 -179.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.6 m -61.32 -23.9 66.06 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.482 -0.487 . . . . 0.0 111.006 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -92.6 -47.87 6.89 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.839 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -84.88 -24.58 28.45 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.995 -178.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.518 ' N ' ' O ' ' A' ' 51' ' ' LEU . 41.1 t -122.45 138.63 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 121.061 0.458 . . . . 0.0 110.597 -179.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -75.22 77.06 2.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.862 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -139.9 132.64 34.9 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.363 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.516 ' OG ' ' ND2' ' A' ' 61' ' ' ASN . 18.5 p -86.34 139.99 30.46 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.592 ' HA ' HD13 ' A' ' 62' ' ' ILE . 57.9 mt -45.75 -35.03 4.0 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.598 0.561 . . . . 0.0 110.84 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -69.01 -14.76 63.23 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.282 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.633 ' C ' HD12 ' A' ' 62' ' ' ILE . 98.6 m-20 -99.89 20.27 14.59 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.711 0.291 . . . . 0.0 110.951 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.634 HD12 ' N ' ' A' ' 62' ' ' ILE . 2.3 mp -115.51 130.26 70.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 121.07 0.462 . . . . 0.0 110.583 179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -87.14 113.44 22.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.016 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.73 HD12 ' HE ' ' A' ' 44' ' ' ARG . 42.2 mm -94.38 122.37 45.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.956 179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 m -145.04 95.2 2.65 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.698 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.478 HE21 HD22 ' A' ' 40' ' ' LEU . 48.4 tt0 -97.93 154.91 17.34 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.731 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -146.15 101.39 3.5 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.154 179.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -93.08 143.86 25.82 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.772 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.42 ' O ' ' O ' ' A' ' 72' ' ' MET . 1.6 tp-100 -150.37 160.77 43.49 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.384 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.483 ' C ' ' H ' ' A' ' 72' ' ' MET . 37.7 t70 -65.5 121.82 15.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.98 -34.91 0.62 Allowed Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.483 ' H ' ' C ' ' A' ' 70' ' ' ASP . 54.0 tpp -108.55 146.39 33.35 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.97 0.414 . . . . 0.0 110.453 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 72' ' ' MET . 87.8 m-20 -145.55 137.34 25.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.095 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.469 HG12 ' N ' ' A' ' 75' ' ' LEU . 53.7 t -131.29 157.37 43.2 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-O 120.908 0.385 . . . . 0.0 110.02 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.469 ' N ' HG12 ' A' ' 74' ' ' VAL . 47.4 tp -139.83 115.37 10.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.566 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.3 tt0 -103.41 108.41 19.65 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.929 179.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.521 HD11 ' CG2' ' A' ' 62' ' ' ILE . 38.5 tp -122.83 123.53 41.22 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.311 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.71 HD22 ' N ' ' A' ' 79' ' ' ILE . 0.6 OUTLIER -128.18 121.01 28.44 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.208 179.378 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.71 ' N ' HD22 ' A' ' 78' ' ' ASN . 4.0 mp -115.7 143.94 24.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-O 120.719 0.295 . . . . 0.0 110.582 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 79.1 m -109.79 116.33 31.48 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.884 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.613 ' N ' HD12 ' A' ' 81' ' ' LEU . 9.5 mp -81.87 131.08 58.24 Favored Pre-proline 0 C--O 1.24 0.604 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.716 -178.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.403 ' HG2' ' H ' ' A' ' 83' ' ' GLU . 57.4 Cg_endo -73.52 -72.76 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 122.766 2.311 . . . . 0.0 112.37 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 85' ' ' LYS . 70.2 mm-40 57.54 175.99 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.997 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 63.75 -65.47 0.12 Allowed 'General case' 0 C--N 1.333 -0.136 0 O-C-N 123.453 0.471 . . . . 0.0 110.522 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 83' ' ' GLU . 70.0 mmtt -65.69 117.45 8.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.51 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.412 ' H ' ' H ' ' A' ' 87' ' ' VAL . 64.1 pttt -172.5 -0.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.424 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.481 ' O ' ' HB2' ' A' ' 88' ' ' LEU . 3.2 t -92.92 46.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--O 1.216 -0.701 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.369 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 87' ' ' VAL . 9.4 mt 70.52 31.51 2.9 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 123.539 0.524 . . . . 0.0 111.638 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 . . . . . 0 C--N 1.323 -0.561 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.799 179.346 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 79.8 mtp . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.45 ' OG ' ' OE1' ' B' ' 5' ' ' GLU . 11.1 p -68.85 129.83 41.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.534 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.7 mt -66.84 -35.64 80.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 57.6 mt -54.09 -28.12 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.653 -179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.581 ' O ' ' N ' ' B' ' 9' ' ' GLY . 8.4 mp0 -77.73 -51.88 9.85 Favored 'General case' 0 C--O 1.219 -0.524 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.755 179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.53 -40.98 88.94 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.591 -0.444 . . . . 0.0 111.036 -179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.38 -41.27 96.78 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.748 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -119.97 37.13 4.3 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.766 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.581 ' N ' ' O ' ' B' ' 5' ' ' GLU . . . -112.8 61.7 0.32 Allowed Glycine 0 N--CA 1.472 1.088 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 51.0 ttt-85 -149.98 -50.79 0.14 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.733 0.302 . . . . 0.0 110.405 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.91 163.79 36.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.569 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -171.71 67.32 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.552 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -73.22 -176.73 2.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.532 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 27.3 m -60.35 126.79 28.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.503 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -170.54 96.03 0.23 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.244 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 89.8 m -128.67 130.74 47.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.365 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.477 ' O ' ' HB1' ' A' ' 31' ' ' ALA . 34.3 m -137.43 -166.89 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.189 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -121.99 9.54 9.99 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.555 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -107.02 -174.91 2.65 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.421 0.629 . . . . 0.0 110.59 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -145.51 164.79 30.54 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.066 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 84.7 mtm-85 -136.1 155.68 49.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.504 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -134.55 99.49 4.36 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.422 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -94.74 95.59 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.416 179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 91.4 mt -95.99 111.1 25.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.345 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 94.6 mt -112.78 132.17 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.02 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 72.0 mt -126.66 144.85 35.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.411 -179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -132.09 103.36 6.23 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.243 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -96.07 121.77 38.19 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.223 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' B' ' 29' ' ' GLU . 20.8 mp0 -117.07 111.74 19.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.034 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 ttp85 -105.15 126.05 51.65 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.19 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.502 ' HB1' ' O ' ' A' ' 17' ' ' VAL . . . -72.09 127.16 31.71 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.163 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.709 ' N ' HE21 ' B' ' 32' ' ' GLN . 2.2 mm-40 -28.04 -68.47 0.06 Allowed 'General case' 0 N--CA 1.473 0.703 0 O-C-N 123.848 0.717 . . . . 0.0 110.754 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -47.56 137.57 8.88 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.432 179.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.63 162.39 36.98 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -141.75 128.97 21.01 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-O 120.871 0.367 . . . . 0.0 110.337 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.1 p -141.64 164.71 32.98 Favored Pre-proline 0 C--O 1.239 0.526 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.558 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -73.6 -169.99 0.61 Allowed 'Trans proline' 0 C--N 1.312 -1.362 0 C-N-CA 122.862 2.375 . . . . 0.0 112.02 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -91.42 134.64 34.45 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.192 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -109.97 2.46 19.71 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.743 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.561 ' N ' ' HD2' ' B' ' 41' ' ' PRO . 6.6 mt -66.2 -49.0 57.3 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.6 179.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' B' ' 40' ' ' LEU . 58.8 Cg_endo -72.9 -14.07 26.54 Favored 'Trans proline' 0 C--N 1.313 -1.335 0 C-N-CA 122.359 2.04 . . . . 0.0 112.066 -179.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 86.5 m -77.48 -59.31 2.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 86.7 mt -64.76 -44.48 89.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.832 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.725 ' HE ' HD12 ' B' ' 64' ' ' ILE . 59.3 ttt-85 -57.13 -56.59 19.84 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.842 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 6.3 ttpt -47.83 -45.42 29.84 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 120.564 -0.455 . . . . 0.0 110.939 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.483 ' O ' HG23 ' B' ' 50' ' ' VAL . . . -63.44 -33.84 76.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.776 0.322 . . . . 0.0 110.757 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' B' ' 47' ' ' LEU . 88.2 mt -72.46 -44.46 62.31 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 121.024 0.44 . . . . 0.0 111.561 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . 0.495 ' CE ' HG21 ' B' ' 62' ' ' ILE . 89.8 mmm -65.71 -32.73 74.44 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.586 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -82.27 -42.98 18.14 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.03 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 46' ' ' ALA . 44.1 t -66.37 -47.26 84.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.367 179.541 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' B' ' 55' ' ' VAL . 62.3 mt -59.88 -51.91 67.71 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.735 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 38.2 m -59.48 -25.32 64.32 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.649 -0.42 . . . . 0.0 111.337 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 35.2 mtmt -92.45 -49.77 5.96 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.728 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -81.49 -25.33 36.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.32 -179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.514 ' N ' ' O ' ' B' ' 51' ' ' LEU . 40.9 t -122.42 137.74 54.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.068 0.461 . . . . 0.0 110.717 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -74.6 77.33 2.0 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.893 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -140.33 132.25 31.86 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.872 0.368 . . . . 0.0 110.311 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.514 ' O ' ' CD1' ' B' ' 62' ' ' ILE . 18.5 p -85.93 139.96 30.77 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.591 ' HA ' HD13 ' B' ' 62' ' ' ILE . 57.5 mt -45.79 -34.92 4.0 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.646 0.591 . . . . 0.0 110.944 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -68.89 -15.01 63.38 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.336 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . 0.642 ' C ' HD12 ' B' ' 62' ' ' ILE . 98.6 m-20 -99.51 19.58 15.44 Favored 'General case' 0 N--CA 1.461 0.105 0 CA-C-O 120.6 0.238 . . . . 0.0 110.897 -179.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.642 HD12 ' C ' ' B' ' 61' ' ' ASN . 2.2 mp -114.9 130.18 69.8 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-O 121.056 0.455 . . . . 0.0 110.569 179.532 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -87.0 113.48 22.79 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.102 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.725 HD12 ' HE ' ' B' ' 44' ' ' ARG . 42.5 mm -94.55 122.1 45.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.078 179.217 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 5.5 m -144.87 95.22 2.66 Favored 'General case' 0 CA--C 1.523 -0.079 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.651 179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.48 HE21 HD22 ' B' ' 40' ' ' LEU . 48.8 tt0 -97.89 154.85 17.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.698 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -145.88 101.65 3.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.213 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -93.55 142.77 26.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.836 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' B' ' 72' ' ' MET . 1.6 tp-100 -148.51 161.4 41.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.399 179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.495 ' C ' ' H ' ' B' ' 72' ' ' MET . 36.9 t70 -66.46 122.8 18.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.905 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 71.59 -33.87 0.58 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.47 -0.652 . . . . 0.0 111.47 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.589 ' SD ' ' CE2' ' A' ' 8' ' ' PHE . 31.4 ttm -110.85 148.01 33.32 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.956 0.408 . . . . 0.0 110.764 -179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 72' ' ' MET . 85.4 m-20 -146.19 139.42 25.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.199 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . 0.472 HG12 ' N ' ' B' ' 75' ' ' LEU . 53.3 t -132.76 157.58 43.05 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 CA-C-O 120.992 0.425 . . . . 0.0 109.973 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.472 ' N ' HG12 ' B' ' 74' ' ' VAL . 47.4 tp -140.0 115.63 10.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.56 179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -103.79 107.31 18.13 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.963 179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.536 HD11 ' CG2' ' B' ' 62' ' ' ILE . 39.0 tp -121.73 123.97 43.13 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.196 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . 0.685 HD22 ' N ' ' B' ' 79' ' ' ILE . 0.7 OUTLIER -128.86 121.06 27.4 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.143 179.393 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.685 ' N ' HD22 ' B' ' 78' ' ' ASN . 4.0 mp -115.7 144.47 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 120.744 0.307 . . . . 0.0 110.501 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 88.3 m -110.3 116.44 31.47 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.846 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.637 HD12 ' N ' ' B' ' 81' ' ' LEU . 9.4 mp -81.97 131.02 58.13 Favored Pre-proline 0 C--O 1.241 0.61 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.667 -178.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . 0.405 ' HG2' ' H ' ' B' ' 83' ' ' GLU . 57.7 Cg_endo -73.48 -73.12 0.01 OUTLIER 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 122.849 2.366 . . . . 0.0 112.49 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' B' ' 85' ' ' LYS . 69.3 mm-40 58.22 176.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.908 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 64.51 -66.49 0.12 Allowed 'General case' 0 C--N 1.332 -0.172 0 O-C-N 123.48 0.488 . . . . 0.0 110.479 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' B' ' 83' ' ' GLU . 70.4 mmtt -66.59 118.86 10.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.06 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 64.0 pttt -173.08 -11.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.584 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . 0.463 ' O ' ' CB ' ' B' ' 88' ' ' LEU . 11.6 t -63.97 -38.85 83.48 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.79 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.599 -179.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . 0.463 ' CB ' ' O ' ' B' ' 87' ' ' VAL . 1.6 mt 156.01 16.58 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.84 0 O-C-N 124.074 0.858 . . . . 0.0 110.302 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.402 ' H ' ' H ' ' B' ' 88' ' ' LEU . 37.6 tt0 . . . . . 0 C--N 1.32 -0.689 0 CA-C-O 118.135 -0.936 . . . . 0.0 110.092 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.0 mtm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 m -139.09 134.76 33.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.027 0.442 . . . . 0.0 110.563 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.543 HD12 ' N ' ' A' ' 3' ' ' LEU . 10.5 mp -67.43 -36.46 81.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.494 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 67.5 mt -43.29 -23.87 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.49 -179.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 3' ' ' LEU . 71.3 mm-40 -63.97 -60.17 3.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.533 HD12 ' N ' ' A' ' 6' ' ' LEU . 10.6 mp -72.6 -36.93 68.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.08 0.467 . . . . 0.0 110.162 179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.411 ' O ' HD23 ' A' ' 7' ' ' LEU . 1.2 tt -50.04 -42.62 50.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.368 -178.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -121.48 -68.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.811 178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 10' ' ' ARG . . . 44.8 -144.54 2.43 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' O ' ' O ' ' A' ' 9' ' ' GLY . 91.3 mtm180 41.03 94.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.882 0.372 . . . . 0.0 110.81 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.5 tttm -98.39 -173.46 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.494 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 56.85 95.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.532 179.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -171.11 -55.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.768 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.4 m -158.58 -19.03 0.07 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.482 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . 49.32 -97.46 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.601 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.1 p -81.65 129.52 34.73 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.355 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.633 ' O ' ' HB2' ' A' ' 18' ' ' ALA . 66.8 t -104.37 -89.97 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.37 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.633 ' HB2' ' O ' ' A' ' 17' ' ' VAL . . . 164.18 -41.86 0.0 OUTLIER 'General case' 0 C--O 1.224 -0.243 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.356 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.18 -168.07 1.79 Allowed 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.568 ' N ' ' OD1' ' A' ' 20' ' ' ASP . 7.1 p-10 -131.77 145.25 51.49 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.129 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.645 ' O ' HD12 ' A' ' 22' ' ' LEU . 77.9 mtp85 -124.67 158.06 34.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.087 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.645 HD12 ' O ' ' A' ' 21' ' ' ARG . 4.0 mp -127.83 123.98 36.46 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.346 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -119.56 96.29 5.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.31 178.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 94.9 mt -101.1 106.83 20.14 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 95.9 mt -103.1 126.5 57.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 86.6 mt -119.48 143.28 31.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.418 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -139.49 107.28 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.094 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -100.01 132.17 45.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.66 -179.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -124.31 109.24 13.11 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.545 HH22 ' CG ' ' A' ' 73' ' ' ASP . 63.3 mtm-85 -110.37 137.96 47.39 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 120.985 0.421 . . . . 0.0 110.522 -179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.573 ' O ' ' C ' ' A' ' 32' ' ' GLN . . . -81.25 125.43 30.3 Favored 'General case' 0 CA--C 1.51 -0.59 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.241 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.573 ' C ' ' O ' ' A' ' 31' ' ' ALA . 0.0 OUTLIER -12.05 -64.15 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 O-C-N 124.084 0.865 . . . . 0.0 110.845 -179.755 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.484 ' C ' ' O ' ' A' ' 32' ' ' GLN . 83.2 tt0 25.77 -88.63 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 O-C-N 124.335 1.022 . . . . 0.0 110.483 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 32' ' ' GLN . . . 134.04 15.64 1.16 Allowed Glycine 0 C--N 1.333 0.407 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 177.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 37' ' ' PRO . 1.5 mp0 -98.69 -82.53 0.43 Allowed 'General case' 0 C--O 1.218 -0.553 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.352 -179.279 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' GLN . 35.9 m -36.88 94.72 0.08 OUTLIER Pre-proline 0 N--CA 1.47 0.561 0 CA-C-N 115.334 -0.848 . . . . 0.0 110.389 -179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.434 ' O ' ' OD1' ' A' ' 38' ' ' ASP . 31.6 Cg_exo -52.25 -56.59 2.75 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 C-N-CA 122.389 2.06 . . . . 0.0 112.548 -178.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.553 ' C ' ' H ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -177.57 -45.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.581 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 56.1 1.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.601 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 0.5 OUTLIER -67.57 -44.05 43.07 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.531 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 23.9 Cg_exo -66.08 -14.21 43.37 Favored 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.762 2.308 . . . . 0.0 111.563 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.7 m -83.2 -49.38 9.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.826 179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 mt -65.06 -43.84 90.97 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.747 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.446 ' O ' ' SD ' ' A' ' 48' ' ' MET . 60.1 ttp180 -60.89 -51.69 68.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.826 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -54.84 -46.97 74.71 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.592 -178.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.25 -37.67 72.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.675 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.6 mt -70.33 -42.13 72.31 Favored 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.937 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.598 ' N ' ' SD ' ' A' ' 48' ' ' MET . 0.0 OUTLIER -61.62 -32.76 72.91 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-O 120.93 0.395 . . . . 0.0 110.885 -179.389 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -84.1 -41.44 17.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.339 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 43.1 t -66.15 -48.28 81.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.176 0.512 . . . . 0.0 110.93 179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.545 HD13 HG21 ' A' ' 55' ' ' VAL . 3.3 mm? -60.65 -54.29 47.06 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.22 -179.058 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.0 m -56.55 -24.29 46.04 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.131 -0.627 . . . . 0.0 110.887 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -93.26 -76.02 0.48 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.845 -179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.9 m-85 -58.59 -25.44 62.59 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.397 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.545 HG21 HD13 ' A' ' 51' ' ' LEU . 18.7 t -118.2 149.11 20.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.254 0.55 . . . . 0.0 110.715 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -93.23 87.17 5.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.285 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 m -141.41 131.59 25.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.397 179.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.59 ' C ' ' H ' ' A' ' 60' ' ' ASP . 34.5 t -80.7 142.33 34.0 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.204 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.9 mt -54.24 -0.61 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.234 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.59 ' H ' ' C ' ' A' ' 58' ' ' SER . 34.5 t70 -88.71 -20.79 24.38 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.528 179.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -101.68 14.16 32.78 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.708 0.289 . . . . 0.0 110.574 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.463 HD12 ' N ' ' A' ' 62' ' ' ILE . 1.6 mp -93.47 109.9 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 0.0 110.597 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.434 ' O ' HD12 ' A' ' 77' ' ' LEU . 43.0 ttm180 -95.52 123.44 39.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.89 179.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 95.9 mt -122.97 139.67 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.6 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 t -153.86 95.77 1.91 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.145 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -86.67 153.2 21.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -147.93 146.69 29.1 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -138.96 137.2 36.18 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.73 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.36 127.95 0.12 Allowed 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.663 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 72' ' ' MET . 22.9 t0 54.92 58.31 4.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.674 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 44.67 17.52 0.09 OUTLIER Glycine 0 C--O 1.239 0.409 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.613 ' SD ' ' CD2' ' B' ' 8' ' ' PHE . 32.1 ttm -116.63 99.75 7.35 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 120.926 0.394 . . . . 0.0 110.466 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.545 ' CG ' HH22 ' A' ' 30' ' ' ARG . 93.1 m-20 -91.0 140.36 29.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.462 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 71.6 t -132.6 118.54 35.16 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.214 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.516 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' HB2' HD21 ' A' ' 40' ' ' LEU . 6.1 tp -106.22 104.47 14.18 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.747 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -89.28 120.19 30.43 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.793 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.545 HD23 HD11 ' A' ' 79' ' ' ILE . 6.7 tp -126.43 130.24 50.3 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.749 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.452 HD22 ' N ' ' A' ' 79' ' ' ILE . 1.0 OUTLIER -132.33 124.08 28.09 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.202 179.257 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.6 ' N ' HD12 ' A' ' 79' ' ' ILE . 1.8 mp -123.95 151.14 28.69 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.301 0 CA-C-O 120.802 0.334 . . . . 0.0 110.307 -179.235 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 29.1 m -113.55 115.42 27.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.721 179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.461 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 10.0 mp -85.53 117.82 69.49 Favored Pre-proline 0 C--O 1.246 0.895 0 O-C-N 123.448 0.468 . . . . 0.0 110.576 -179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_exo -55.37 141.93 80.78 Favored 'Trans proline' 0 C--N 1.318 -1.029 0 C-N-CA 122.667 2.245 . . . . 0.0 111.841 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -74.67 -41.51 60.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.707 179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -83.62 125.05 31.43 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.468 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -160.57 149.95 17.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.402 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -114.04 129.28 56.62 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 120.897 0.38 . . . . 0.0 110.294 179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 8.0 p -139.37 136.39 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.379 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 71.2 mt -111.67 130.29 55.82 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.403 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.971 -1.014 . . . . 0.0 110.615 179.839 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 78.5 mtm . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -140.52 135.69 32.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.18 0.514 . . . . 0.0 110.504 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.552 ' N ' HD12 ' B' ' 3' ' ' LEU . 10.5 mp -68.81 -35.95 77.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.609 179.675 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 64.6 mt -43.74 -24.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.473 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -63.82 -60.68 2.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.01 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.516 ' N ' HD12 ' B' ' 6' ' ' LEU . 10.5 mp -72.32 -37.56 68.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.092 0.472 . . . . 0.0 110.252 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.447 ' O ' HD23 ' B' ' 7' ' ' LEU . 1.3 tt -49.3 -41.62 38.81 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.198 -178.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . 0.613 ' CD2' ' SD ' ' A' ' 72' ' ' MET . 31.0 m-85 -123.04 -69.66 0.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 178.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.435 ' O ' ' O ' ' B' ' 10' ' ' ARG . . . 45.33 -143.47 3.37 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 -179.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.435 ' O ' ' O ' ' B' ' 9' ' ' GLY . 90.9 mtm180 40.59 94.73 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.951 0.405 . . . . 0.0 110.79 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 6.6 tttm -98.76 -174.9 2.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.586 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 58.73 95.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.313 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 tmtp? -171.23 -56.08 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.875 179.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.2 m -158.28 -18.11 0.08 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.543 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . 47.96 -98.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.66 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 14.7 p -79.18 129.79 34.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.448 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.626 ' O ' ' HB2' ' B' ' 18' ' ' ALA . 71.1 t -105.2 -89.17 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.364 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.626 ' HB2' ' O ' ' B' ' 17' ' ' VAL . . . 163.41 -41.21 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.412 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.62 -168.48 1.84 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.567 ' N ' ' OD1' ' B' ' 20' ' ' ASP . 7.2 p-10 -131.5 145.06 51.57 Favored 'General case' 0 C--O 1.224 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.021 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.626 ' O ' HD12 ' B' ' 22' ' ' LEU . 78.4 mtp85 -124.72 157.26 36.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.051 -179.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.626 HD12 ' O ' ' B' ' 21' ' ' ARG . 4.2 mp -127.01 124.47 39.46 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.456 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -119.86 95.5 4.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.238 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 95.4 mt -100.5 107.03 20.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.976 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 96.2 mt -103.21 127.72 56.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.693 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 85.2 mt -121.1 141.72 40.38 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.424 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -138.09 107.56 6.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.078 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -100.26 131.35 46.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.9 109.6 14.36 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.551 HH22 ' CG ' ' B' ' 73' ' ' ASP . 64.3 mtm-85 -111.16 137.39 48.91 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.069 0.462 . . . . 0.0 110.346 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.557 ' O ' ' C ' ' B' ' 32' ' ' GLN . . . -80.97 126.73 31.74 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.308 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.557 ' C ' ' O ' ' B' ' 31' ' ' ALA . 0.0 OUTLIER -14.59 -65.74 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 O-C-N 124.107 0.88 . . . . 0.0 110.788 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' B' ' 32' ' ' GLN . 84.5 tt0 28.21 -89.26 0.0 OUTLIER 'General case' 0 C--N 1.341 0.206 0 O-C-N 124.046 0.841 . . . . 0.0 110.76 178.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' B' ' 32' ' ' GLN . . . 150.83 -13.77 0.88 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . 0.423 ' HB3' ' H ' ' B' ' 36' ' ' THR . 3.8 mp0 -84.62 -156.24 0.23 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . 0.423 ' H ' ' HB3' ' B' ' 35' ' ' GLN . 8.6 m 39.77 73.81 0.78 Allowed Pre-proline 0 N--CA 1.448 -0.536 0 CA-C-O 121.124 0.488 . . . . 0.0 110.3 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.417 ' O ' ' OD1' ' B' ' 38' ' ' ASP . 2.4 Cg_endo -43.61 -50.96 6.56 Favored 'Trans proline' 0 C--N 1.306 -1.682 0 C-N-CA 122.443 2.096 . . . . 0.0 112.562 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.531 ' C ' ' H ' ' B' ' 40' ' ' LEU . 0.3 OUTLIER -177.86 -48.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.632 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 59.35 -0.6 0.16 Allowed 'General case' 0 C--O 1.238 0.485 0 CA-C-O 121.114 0.483 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.596 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 0.5 OUTLIER -66.52 -44.33 55.27 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.549 -179.819 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.596 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 24.7 Cg_exo -65.27 -15.01 48.06 Favored 'Trans proline' 0 C--N 1.304 -1.81 0 C-N-CA 122.686 2.257 . . . . 0.0 111.716 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 33.5 m -81.95 -49.32 10.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.875 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.02 -43.63 91.8 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.777 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.484 ' O ' ' SD ' ' B' ' 48' ' ' MET . 60.3 ttp180 -61.04 -51.1 70.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -55.45 -46.74 76.73 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.578 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -57.46 -37.93 73.67 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.935 0.398 . . . . 0.0 110.577 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 47' ' ' LEU . 97.7 mt -70.14 -41.78 73.41 Favored 'General case' 0 C--O 1.216 -0.662 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.989 179.413 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . 0.6 ' N ' ' SD ' ' B' ' 48' ' ' MET . 0.0 OUTLIER -61.74 -33.85 74.79 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.969 0.414 . . . . 0.0 110.942 -179.47 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -83.08 -41.96 17.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.5 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.53 -48.82 81.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.051 0.453 . . . . 0.0 110.86 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.526 HD13 HG21 ' B' ' 55' ' ' VAL . 3.1 mm? -59.94 -54.8 41.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.319 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 30.0 m -55.83 -25.33 41.25 Favored 'General case' 0 C--N 1.317 -0.827 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.732 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 49.5 mtmt -92.46 -76.61 0.46 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.914 -179.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -57.81 -25.64 60.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.471 -177.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.526 HG21 HD13 ' B' ' 51' ' ' LEU . 19.9 t -118.29 148.76 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.273 0.559 . . . . 0.0 110.757 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -92.8 88.8 6.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.207 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 m -142.88 132.74 22.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 CA-C-O 121.015 0.436 . . . . 0.0 110.301 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.582 ' C ' ' H ' ' B' ' 60' ' ' ASP . 29.5 t -81.65 141.69 33.43 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.25 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 8.5 mt -53.56 -1.12 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.711 0.291 . . . . 0.0 111.223 179.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . 0.582 ' H ' ' C ' ' B' ' 58' ' ' SER . 32.8 t70 -88.4 -20.75 24.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.45 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -101.42 13.18 35.82 Favored 'General case' 0 CA--C 1.519 -0.246 0 CA-C-O 120.639 0.257 . . . . 0.0 110.655 -179.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.454 ' N ' HD12 ' B' ' 62' ' ' ILE . 1.6 mp -92.46 110.18 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.947 0.404 . . . . 0.0 110.7 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.446 ' O ' HD12 ' B' ' 77' ' ' LEU . 42.9 ttm180 -95.55 123.63 39.19 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.822 179.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 96.1 mt -123.38 138.97 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.747 -179.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.6 t -153.11 96.39 2.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.156 179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -87.24 152.74 22.05 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -147.63 147.2 29.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.539 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 55.2 pttt -139.53 137.6 35.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.699 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.14 128.53 0.1 Allowed 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.665 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.447 ' C ' ' N ' ' B' ' 72' ' ' MET . 22.4 t0 54.64 55.65 7.69 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.835 0.35 . . . . 0.0 110.82 179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 47.54 14.48 0.21 Allowed Glycine 0 CA--C 1.52 0.364 0 N-CA-C 111.296 -0.721 . . . . 0.0 111.296 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.447 ' N ' ' C ' ' B' ' 70' ' ' ASP . 55.1 tpp -113.1 98.92 7.45 Favored 'General case' 0 N--CA 1.462 0.154 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . 0.551 ' CG ' HH22 ' B' ' 30' ' ' ARG . 92.5 m-20 -89.85 140.84 29.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.316 178.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 83.6 t -133.4 118.56 31.75 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.163 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.507 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.422 ' HB2' HD21 ' B' ' 40' ' ' LEU . 6.1 tp -106.32 104.83 14.62 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -89.46 118.78 29.36 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.967 179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.537 HD23 HD11 ' B' ' 79' ' ' ILE . 7.7 tp -124.63 130.14 51.87 Favored 'General case' 0 CA--C 1.519 -0.223 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.767 -179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . 0.477 HD22 ' N ' ' B' ' 79' ' ' ILE . 0.8 OUTLIER -132.48 123.24 26.23 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.129 179.127 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.596 HD12 ' N ' ' B' ' 79' ' ' ILE . 1.6 mp -123.3 151.66 27.86 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.448 -179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 29.4 m -114.09 115.74 28.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.678 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.447 ' O ' ' OD1' ' B' ' 20' ' ' ASP . 9.9 mp -86.11 117.73 69.2 Favored Pre-proline 0 C--O 1.245 0.843 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.627 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -55.27 144.04 73.03 Favored 'Trans proline' 0 C--N 1.317 -1.091 0 C-N-CA 122.578 2.186 . . . . 0.0 111.933 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -77.26 -40.71 43.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.626 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -84.54 123.45 30.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.323 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 23.4 pttm -158.93 149.86 20.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.442 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -114.31 129.88 56.65 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.879 0.371 . . . . 0.0 110.276 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 8.7 p -139.99 137.77 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.378 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 70.8 mt -112.67 131.5 55.62 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.475 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.895 -1.05 . . . . 0.0 110.514 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ttt . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.4 m -143.0 146.53 33.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.544 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 56.0 mt -65.27 -33.33 75.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.576 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 53.4 mt -54.29 -30.51 21.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.609 ' O ' ' N ' ' A' ' 9' ' ' GLY . 75.5 mm-40 -70.66 -48.27 55.71 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 6' ' ' LEU . 4.2 mm? -66.96 -40.76 87.57 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 120.973 0.416 . . . . 0.0 110.945 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.8 mt -62.51 -44.31 96.69 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.446 -178.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.497 ' CZ ' ' SD ' ' B' ' 72' ' ' MET . 96.7 m-85 -118.67 20.28 12.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.542 -178.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.609 ' N ' ' O ' ' A' ' 5' ' ' GLU . . . -49.8 -28.03 10.68 Favored Glycine 0 C--N 1.32 -0.316 0 N-CA-C 110.795 -0.922 . . . . 0.0 110.795 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -69.43 -140.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.83 0.348 . . . . 0.0 110.457 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HB3' ' NZ ' ' A' ' 11' ' ' LYS . 3.4 mtmp? -74.81 157.69 34.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.4 mp0 -71.92 -9.21 58.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.634 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' A' ' 15' ' ' ALA . 58.4 tttp 65.29 158.86 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.667 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.414 ' O ' ' N ' ' A' ' 16' ' ' THR . 1.6 t -49.18 -11.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.552 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 13' ' ' LYS . . . 56.39 -88.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.727 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.414 ' N ' ' O ' ' A' ' 14' ' ' THR . 80.8 p -62.31 87.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.58 -179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.517 HG22 ' O ' ' A' ' 17' ' ' VAL . 13.4 p -89.28 -6.63 10.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.572 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.501 ' HB3' ' O ' ' A' ' 17' ' ' VAL . . . 69.26 32.21 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.569 -179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.429 ' HG3' ' H ' ' A' ' 20' ' ' ASP . 2.8 tpt180 -163.74 -173.37 3.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.512 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.429 ' H ' ' HG3' ' A' ' 19' ' ' ARG . 86.7 m-20 -132.33 145.86 51.57 Favored 'General case' 0 CA--C 1.523 -0.06 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.317 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 29.0 ttm105 -137.35 156.87 47.71 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.709 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.88 100.52 4.47 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.867 179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -94.65 97.1 9.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.98 0.419 . . . . 0.0 110.333 179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -98.6 108.57 22.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.296 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 94.8 mt -111.37 121.3 63.71 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 86.6 mt -114.02 118.57 58.77 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.193 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.116 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -108.2 97.17 6.9 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.418 ' NE2' ' CD1' ' A' ' 39' ' ' TYR . 6.6 tt0 -101.47 141.34 34.49 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.858 -179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' A' ' 29' ' ' GLU . 12.7 mp0 -134.88 111.89 10.23 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.271 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -117.54 137.43 52.58 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.029 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -81.74 169.77 16.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.07 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -54.84 -20.73 9.33 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.798 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -59.27 147.62 35.07 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.575 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.84 166.82 41.1 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -144.48 157.38 44.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.781 0.324 . . . . 0.0 110.385 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.9 p 40.61 84.73 0.18 Allowed Pre-proline 0 C--O 1.233 0.222 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.366 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.419 ' O ' ' CB ' ' A' ' 38' ' ' ASP . 55.3 Cg_endo -73.94 -174.65 1.8 Allowed 'Trans proline' 0 C--N 1.305 -1.731 0 C-N-CA 122.854 2.369 . . . . 0.0 112.023 -178.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.419 ' CB ' ' O ' ' A' ' 37' ' ' PRO . 1.0 OUTLIER 165.79 95.14 0.0 OUTLIER 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.41 179.805 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.421 ' CD1' ' N ' ' A' ' 40' ' ' LEU . 9.4 p90 -160.34 -30.95 0.06 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.8 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.593 HD23 HD12 ' A' ' 75' ' ' LEU . 3.0 mt -56.49 -61.92 5.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.769 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.487 ' CD ' ' CB ' ' A' ' 40' ' ' LEU . 48.2 Cg_endo -67.77 -11.66 32.84 Favored 'Trans proline' 0 C--N 1.304 -1.795 0 C-N-CA 122.735 2.29 . . . . 0.0 112.095 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.7 m -76.87 -53.1 8.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.06 -42.9 83.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.592 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -58.86 -50.95 72.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -55.76 -46.87 77.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 -178.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.05 -37.89 84.24 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.941 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 86.1 mt -69.94 -41.98 73.84 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.132 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.426 ' HE1' HD11 ' A' ' 77' ' ' LEU . 17.1 mmt -66.1 -30.08 70.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.413 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -84.36 -43.83 14.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.438 ' O ' ' N ' ' A' ' 54' ' ' TYR . 42.4 t -64.68 -50.01 77.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.759 179.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.514 ' O ' ' O ' ' A' ' 55' ' ' VAL . 67.8 mt -60.25 -55.63 31.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.118 -179.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.3 t -51.46 -25.62 6.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.946 0.403 . . . . 0.0 110.667 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -95.45 -70.54 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.369 179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' VAL . 43.8 m-85 -62.13 -25.53 67.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.184 -178.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.514 ' O ' ' O ' ' A' ' 51' ' ' LEU . 23.1 t -120.13 156.05 23.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.285 0.564 . . . . 0.0 110.828 -179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.426 ' N ' HG12 ' A' ' 55' ' ' VAL . 42.6 t-20 -101.69 90.45 4.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.824 -179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.17 130.24 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.302 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.558 ' C ' ' H ' ' A' ' 60' ' ' ASP . 70.0 m -83.79 143.56 29.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.455 179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.4 mm? -51.49 -4.73 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.946 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.558 ' H ' ' C ' ' A' ' 58' ' ' SER . 97.8 m-20 -88.49 -22.86 23.42 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.186 0.517 . . . . 0.0 110.704 -179.667 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.6 m-80 -96.96 11.38 36.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.93 0.395 . . . . 0.0 110.816 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.494 ' CG2' ' N ' ' A' ' 63' ' ' ARG . 1.7 mp -92.86 159.63 2.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.09 0.471 . . . . 0.0 109.852 179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.494 ' N ' ' CG2' ' A' ' 62' ' ' ILE . 67.0 ttt180 -132.38 109.47 9.87 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.646 177.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 22.5 mm -94.84 120.95 44.98 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.209 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.192 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.7 p -148.11 100.91 3.23 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.153 179.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.454 HE21 HD22 ' A' ' 40' ' ' LEU . 42.2 tt0 -99.06 150.28 22.17 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.839 0.352 . . . . 0.0 110.449 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -145.5 141.64 28.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.012 0.434 . . . . 0.0 110.701 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -152.68 133.92 14.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.628 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -174.28 116.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.69 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' A' ' 72' ' ' MET . 15.5 t0 72.8 62.99 0.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.033 179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 44.21 16.05 0.05 OUTLIER Glycine 0 C--O 1.239 0.437 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.613 ' SD ' ' CE1' ' B' ' 8' ' ' PHE . 54.0 ttm -109.08 108.57 19.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.021 0.439 . . . . 0.0 110.287 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -95.59 120.17 35.37 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.33 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 39.9 t -122.75 108.47 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 121.041 0.448 . . . . 0.0 110.324 179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.593 HD12 HD23 ' A' ' 40' ' ' LEU . 1.3 tt -94.55 110.21 22.04 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.571 -179.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.456 ' N ' HD23 ' A' ' 75' ' ' LEU . 83.3 tt0 -97.71 118.67 34.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.127 179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 63' ' ' ARG . 11.6 tp -135.62 130.76 34.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.627 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -132.04 130.57 41.52 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.206 0.527 . . . . 0.0 110.361 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.457 ' N ' HD12 ' A' ' 79' ' ' ILE . 2.9 mp -128.64 150.35 34.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.807 -179.262 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.4 m -116.9 113.79 22.95 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 mp -83.71 140.79 41.04 Favored Pre-proline 0 C--O 1.238 0.496 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.934 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.422 ' HA ' ' HE ' ' A' ' 19' ' ' ARG . 59.5 Cg_endo -72.73 159.39 48.66 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.762 2.308 . . . . 0.0 112.396 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -91.13 -17.89 25.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.486 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 45.3 tt0 -73.82 133.71 43.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.356 -179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -169.74 -104.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.368 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt 40.59 69.14 0.35 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.809 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 19.5 t -73.77 135.95 26.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.445 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.404 ' H ' ' HG ' ' A' ' 88' ' ' LEU . 56.3 mt -45.47 141.0 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.379 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 . . . . . 0 C--O 1.222 -0.386 0 CA-C-O 117.899 -1.048 . . . . 0.0 110.491 -179.612 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 66.6 m -141.96 146.47 35.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.604 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 53.1 mt -65.58 -32.77 74.53 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.56 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 55.7 mt -54.49 -30.54 21.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.653 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.634 ' O ' ' N ' ' B' ' 9' ' ' GLY . 74.0 mm-40 -70.8 -49.34 47.45 Favored 'General case' 0 C--O 1.213 -0.857 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.786 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.504 HD22 ' N ' ' B' ' 6' ' ' LEU . 4.4 mm? -65.96 -40.51 91.34 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.918 0.39 . . . . 0.0 111.103 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 72.1 mt -62.57 -44.29 96.7 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.424 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' PHE . . . . . 0.613 ' CE1' ' SD ' ' A' ' 72' ' ' MET . 96.7 m-85 -119.08 21.14 12.47 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.605 -179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . 0.634 ' N ' ' O ' ' B' ' 5' ' ' GLU . . . -51.89 -25.81 17.02 Favored Glycine 0 CA--C 1.521 0.439 0 N-CA-C 110.684 -0.967 . . . . 0.0 110.684 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -70.93 -136.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.793 0.33 . . . . 0.0 110.626 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.445 ' HZ1' ' HB3' ' B' ' 11' ' ' LYS . 12.1 mtpp -77.26 154.55 32.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.658 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 22.4 mp0 -69.15 -11.89 61.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.619 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . 0.492 ' C ' ' H ' ' B' ' 15' ' ' ALA . 58.2 tttp 67.25 158.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.583 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.405 ' O ' ' N ' ' B' ' 16' ' ' THR . 1.7 t -49.1 -11.3 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.668 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' B' ' 13' ' ' LYS . . . 56.47 -88.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.716 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . 0.405 ' N ' ' O ' ' B' ' 14' ' ' THR . 81.1 p -61.61 87.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.553 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.491 HG22 ' O ' ' B' ' 17' ' ' VAL . 13.6 p -89.4 -6.55 10.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.63 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' B' ' 17' ' ' VAL . . . 69.03 34.14 3.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.443 -179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.423 ' HG3' ' H ' ' B' ' 20' ' ' ASP . 2.8 tpt180 -165.83 -173.67 2.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.584 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.423 ' H ' ' HG3' ' B' ' 19' ' ' ARG . 86.2 m-20 -132.33 145.6 51.38 Favored 'General case' 0 C--N 1.335 -0.03 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.359 179.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' B' ' 21' ' ' ARG . 28.2 ttm105 -137.11 156.57 48.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.699 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -135.48 100.57 4.54 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -94.44 96.88 9.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.03 0.443 . . . . 0.0 110.244 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 95.8 mt -98.68 108.51 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.434 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 90.5 mt -111.17 122.47 65.69 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 86.2 mt -115.13 118.13 57.82 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.168 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.058 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.77 96.66 6.54 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.404 ' NE2' ' CD1' ' B' ' 39' ' ' TYR . 6.7 tt0 -100.77 141.08 34.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.96 0.41 . . . . 0.0 110.926 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.458 ' N ' ' OE1' ' B' ' 29' ' ' GLU . 10.4 mp0 -134.34 111.93 10.59 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.303 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -117.92 138.01 52.43 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.973 0.415 . . . . 0.0 111.028 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -82.89 169.07 16.46 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.101 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -54.05 -20.8 7.02 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.811 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -59.22 147.77 34.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.467 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.52 166.84 41.36 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -144.02 157.89 44.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.687 0.279 . . . . 0.0 110.453 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 50.5 p 40.07 86.03 0.14 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.372 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.428 ' O ' ' CB ' ' B' ' 38' ' ' ASP . 55.8 Cg_endo -74.93 -174.98 2.12 Favored 'Trans proline' 0 C--N 1.307 -1.619 0 C-N-CA 122.839 2.359 . . . . 0.0 112.018 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.428 ' CB ' ' O ' ' B' ' 37' ' ' PRO . 0.8 OUTLIER 166.08 95.86 0.0 OUTLIER 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.421 179.81 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' B' ' 40' ' ' LEU . 9.2 p90 -161.0 -32.39 0.05 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.758 179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.661 HD23 HD12 ' B' ' 75' ' ' LEU . 3.2 mt -55.34 -61.47 6.0 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.669 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.477 ' CD ' ' CB ' ' B' ' 40' ' ' LEU . 45.5 Cg_endo -67.83 -11.93 33.73 Favored 'Trans proline' 0 C--N 1.303 -1.819 0 C-N-CA 122.762 2.308 . . . . 0.0 112.045 178.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 9.7 m -77.14 -52.9 8.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.274 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.16 -42.77 83.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.616 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -59.21 -50.59 73.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.769 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -56.15 -46.68 79.19 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.552 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.15 -37.64 83.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.842 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 86.4 mt -70.26 -42.02 72.7 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.141 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . 0.409 ' HE1' HD11 ' B' ' 77' ' ' LEU . 17.6 mmt -65.92 -30.28 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.481 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -84.3 -43.68 14.56 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' B' ' 54' ' ' TYR . 42.0 t -64.94 -49.77 78.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.736 179.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.515 ' O ' ' O ' ' B' ' 55' ' ' VAL . 76.9 mt -60.24 -55.71 30.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.163 -179.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.5 t -51.71 -25.39 7.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.957 0.408 . . . . 0.0 110.691 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -95.57 -70.7 0.7 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.284 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.468 ' N ' ' O ' ' B' ' 50' ' ' VAL . 44.7 m-85 -62.18 -25.55 67.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 -178.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.515 ' O ' ' O ' ' B' ' 51' ' ' LEU . 25.2 t -120.13 156.38 22.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.262 0.553 . . . . 0.0 110.762 -179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.427 ' N ' HG12 ' B' ' 55' ' ' VAL . 43.3 t-20 -101.76 91.04 4.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.661 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.59 130.15 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.291 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . 0.568 ' C ' ' H ' ' B' ' 60' ' ' ASP . 70.8 m -83.71 143.29 30.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.426 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.495 HD22 ' N ' ' B' ' 59' ' ' LEU . 4.4 mm? -51.34 -4.56 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.951 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . 0.568 ' H ' ' C ' ' B' ' 58' ' ' SER . 97.0 m-20 -88.75 -22.99 23.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.158 0.504 . . . . 0.0 110.708 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -96.83 11.27 36.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.9 0.381 . . . . 0.0 110.786 -179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' B' ' 63' ' ' ARG . 1.7 mp -92.82 159.62 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.121 0.486 . . . . 0.0 109.803 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.524 ' O ' HD12 ' B' ' 77' ' ' LEU . 66.8 ttt180 -131.84 109.72 10.31 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.66 177.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 25.7 mm -95.2 121.0 45.37 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.155 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.989 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 2.7 p -148.57 102.1 3.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.147 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.472 HE21 HD22 ' B' ' 40' ' ' LEU . 41.6 tt0 -100.19 150.39 22.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.969 0.414 . . . . 0.0 110.355 -179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -145.03 142.27 29.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.667 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -153.26 133.45 13.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.704 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -173.89 116.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.684 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.533 ' O ' ' N ' ' B' ' 72' ' ' MET . 16.2 t0 72.46 63.69 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 44.31 15.34 0.04 OUTLIER Glycine 0 C--O 1.239 0.441 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.533 ' N ' ' O ' ' B' ' 70' ' ' ASP . 4.6 tpp -108.25 109.67 21.08 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.001 0.429 . . . . 0.0 110.469 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -96.87 120.5 37.32 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.315 179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 43.1 t -123.45 108.67 21.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-O 121.027 0.441 . . . . 0.0 110.392 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.661 HD12 HD23 ' B' ' 40' ' ' LEU . 1.4 tt -94.54 110.74 22.52 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.609 -179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.441 ' N ' HD23 ' B' ' 75' ' ' LEU . 82.2 tt0 -98.2 118.04 33.94 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.152 0.501 . . . . 0.0 110.128 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.524 HD12 ' O ' ' B' ' 63' ' ' ARG . 11.4 tp -135.15 130.68 35.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.65 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -131.79 130.68 42.14 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-O 121.225 0.535 . . . . 0.0 110.425 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.423 HD12 ' N ' ' B' ' 79' ' ' ILE . 2.9 mp -128.65 150.49 34.37 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.803 -179.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 4.6 m -117.08 112.88 21.52 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.066 0.46 . . . . 0.0 109.769 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 10.3 mp -82.71 140.98 44.17 Favored Pre-proline 0 C--O 1.24 0.602 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.789 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' PRO . . . . . 0.4 ' HA ' ' HE ' ' B' ' 19' ' ' ARG . 60.2 Cg_endo -73.36 159.52 46.59 Favored 'Trans proline' 0 C--N 1.311 -1.404 0 C-N-CA 122.777 2.318 . . . . 0.0 112.416 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -91.08 -17.4 26.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.544 179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' GLN . . . . . . . . . . . . . 44.7 tt0 -73.74 133.71 43.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.467 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -170.02 -105.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.34 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt 41.31 68.98 0.38 Allowed 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.774 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' VAL . . . . . . . . . . . . . 17.6 t -73.35 136.14 26.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.498 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 53.4 mt -46.18 141.55 3.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.313 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 117.892 -1.051 . . . . 0.0 110.464 -179.177 . . . . . . . . 0 0 . 1 stop_ save_